1.0 2010-04-08 22:10:04 UTC 2018-05-28 23:35:26 UTC FDB012260 6-Hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid Yellow food dye used in cereals, bakery products, sweets, snack foods, ice cream, drinks and canned fish. 1-(p-Sulfophenylazo)-2-naphthol-6-sulfonic acid C.I. 15985 C.I. Food Yellow 3, 8CI C.I. Food Yellow 3, free acid E110 FD and C Yellow No. 6 Food Yellow No. 5 Sunset Yellow FCF C16H12N2O7S2 408.406 408.008592128 6-hydroxy-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalene-2-sulfonic acid 6-hydroxy-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalene-2-sulfonic acid 5859-11-0 OC1=CC=C2C=C(C=CC2=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O InChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+ KEYWXKLGZZGHMT-ISLYRVAYSA-N belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 2-naphthalene sulfonates Organic compounds Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonic acids and derivatives Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Hydrocarbon derivatives Naphthols and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Sulfonyls 1-hydroxy-2-unsubstituted benzenoid 1-sulfo,2-unsubstituted aromatic compound 2-naphthalene sulfonate 2-naphthalene sulfonic acid or derivatives 2-naphthol Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Azo compound Benzenesulfonate Benzenesulfonyl group Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Propargyl-type 1,3-dipolar organic compound Sulfonyl logp -0.55 ALOGPS logs -4.26 ALOGPS solubility 2.26e-02 g/l ALOGPS logp -0.72 ChemAxon pka_strongest_acidic -3.4 ChemAxon pka_strongest_basic -0.59 ChemAxon iupac 6-hydroxy-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalene-2-sulfonic acid ChemAxon average_mass 408.406 ChemAxon mono_mass 408.008592128 ChemAxon smiles OC1=CC=C2C=C(C=CC2=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O ChemAxon formula C16H12N2O7S2 ChemAxon inchi InChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+ ChemAxon inchikey KEYWXKLGZZGHMT-ISLYRVAYSA-N ChemAxon polar_surface_area 153.69 ChemAxon refractivity 100.05 ChemAxon polarizability 38.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21624 Specdb::CMs 43657 Specdb::CMs 174055 Specdb::MsMs 87039 Specdb::MsMs 87040 Specdb::MsMs 87041 Specdb::MsMs 149457 Specdb::MsMs 149458 Specdb::MsMs 149459 Specdb::MsMs 2311445 Specdb::MsMs 2311446 Specdb::MsMs 2311447 Specdb::MsMs 2650298 Specdb::MsMs 2650299 Specdb::MsMs 2650300 Specdb::NmrOneD 124058 Specdb::NmrOneD 124059 Specdb::NmrOneD 124060 Specdb::NmrOneD 124061 Specdb::NmrOneD 124062 Specdb::NmrOneD 124063 Specdb::NmrOneD 124064 Specdb::NmrOneD 124065 Specdb::NmrOneD 124066 Specdb::NmrOneD 124067 Specdb::NmrOneD 124068 Specdb::NmrOneD 124069 Specdb::NmrOneD 124070 Specdb::NmrOneD 124071 Specdb::NmrOneD 124072 Specdb::NmrOneD 124073 Specdb::NmrOneD 124074 Specdb::NmrOneD 124075 Specdb::NmrOneD 124076 Specdb::NmrOneD 124077 HMDB34022 #<Reference:0x000055ce324bd268>