1.0 2010-04-08 22:15:47 UTC 2015-07-21 06:54:01 UTC FDB021557 Lithol Rubine Lithol Rubine is a food dye. 3-Hydroxy-4-((4-methyl-2-sulphophenyl)azo)-2-naphthoic acid 3-Hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-2-naphthalenecarboxylic acid, 9CI C.I. 15850 C.I. Pigment red 57 E180 Litholrubine BK C18H14N2O6S 386.38 386.057257353 3-hydroxy-4-[(E)-2-(4-methyl-2-sulfophenyl)diazen-1-yl]naphthalene-2-carboxylic acid 3-hydroxy-4-[(E)-2-(4-methyl-2-sulfophenyl)diazen-1-yl]naphthalene-2-carboxylic acid 16014-23-6 CC1=CC(=C(C=C1)\N=N\C1=C(O)C(=CC2=CC=CC=C12)C(O)=O)S(O)(=O)=O InChI=1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)/b20-19+ JYNBEDVXQNFTOX-FMQUCBEESA-N belongs to the class of organic compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. Naphthalenecarboxylic acids Organic compounds Benzenoids Naphthalenes Naphthalenecarboxylic acids and derivatives Aromatic homopolycyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthols and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Salicylic acid and derivatives Sulfonyls Toluenes Vinylogous acids 1-sulfo,2-unsubstituted aromatic compound 2-naphthalenecarboxylic acid 2-naphthol Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Azo compound Benzenesulfonate Benzenesulfonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives 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 Salicylic acid or derivatives Sulfonyl Toluene Vinylogous acid logp 1.52 ALOGPS logs -3.94 ALOGPS solubility 4.39e-02 g/l ALOGPS logp 3.03 ChemAxon pka_strongest_acidic -2.1 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxy-4-[(E)-2-(4-methyl-2-sulfophenyl)diazen-1-yl]naphthalene-2-carboxylic acid ChemAxon average_mass 386.38 ChemAxon mono_mass 386.057257353 ChemAxon smiles CC1=CC(=C(C=C1)\N=N\C1=C(O)C(=CC2=CC=CC=C12)C(O)=O)S(O)(=O)=O ChemAxon formula C18H14N2O6S ChemAxon inchi InChI=1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)/b20-19+ ChemAxon inchikey JYNBEDVXQNFTOX-FMQUCBEESA-N ChemAxon polar_surface_area 136.62 ChemAxon refractivity 101.73 ChemAxon polarizability 38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18210 Specdb::CMs 47386 Specdb::CMs 158430 Specdb::MsMs 306358 Specdb::MsMs 306359 Specdb::MsMs 306360 Specdb::MsMs 349984 Specdb::MsMs 349985 Specdb::MsMs 349986 Specdb::MsMs 2759339 Specdb::MsMs 2759340 Specdb::MsMs 2759341 Specdb::MsMs 2949849 Specdb::MsMs 2949850 Specdb::MsMs 2949851 HMDB41567 #<Reference:0x000055ce31e859b8>