1.02010-04-08 22:12:42 UTC2015-07-20 23:33:35 UTCFDB016867C.I. Pigment Blue 63Colour additive for foodAcid Blue 74-aluminum lakeAluminum 3,3'-dioxo-(delta2,2-biindoline)-5,5'disulfonateC.I. Acid Blue 74-aluminum lakeC.I. Food Blue 1-aluminum lakeC.I. Food Blue 1:1C.I. Pigment Blue 63Certolake indigo carminefd & c blue no. 2, aluminum lakeFD&C Blue No. 2-aluminum lakeFD&C BLUE NO. 2, ALUMINUM LAKEFood Blue No. 2-aluminum lakeIndigo carmine-aluminum lakeIndigo disulfonic acid, aluminum saltIndigotine-aluminum lakeJapan Blue 2 Aluminum lakeJapan Food Blue No. 2 Aluminum LakePigment Blue 63C16H10AlN2O8S2449.371448.969395127aluminium(3+) ion (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonic acidaluminium(3+) ion (E)-3,3'-dioxo-1H,1'H-[2,2'-biindolylidene]-5,5'-disulfonic acid16521-38-3[Al+3].OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1InChI=1S/C16H10N2O8S2.Al/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+3/b14-13+;KKHVNJFMNFIZLB-IERUDJENSA-N belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.IndolinesOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolinesAromatic heteropolycyclic compounds1-sulfo,2-unsubstituted aromatic compoundsAryl ketonesAzacyclic compoundsBenzenoidsEnaminesHydrocarbon derivativesOrganic aluminium saltsOrganic cationsOrganic oxidesOrganopnictogen compoundsOrganosulfonic acidsSecondary alkylarylaminesSulfonylsVinylogous amides1-sulfo,2-unsubstituted aromatic compoundAmineAromatic heteropolycyclic compoundAryl ketoneArylsulfonic acid or derivativesAzacycleBenzenoidDihydroindoleEnamineHydrocarbon derivativeKetoneOrganic aluminium saltOrganic cationOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganic saltOrganic sulfonic acid or derivativesOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfonic acidOrganosulfonic acid or derivativesOrganosulfur compoundSecondary aliphatic/aromatic amineSecondary amineSulfonylVinylogous amidelogp-0.94logs-3.63solubility9.96e-02 g/llogp1.01pka_strongest_acidic-2.8pka_strongest_basic-7.7iupacaluminium(3+) ion (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonic acidaverage_mass449.371mono_mass448.969395127smiles[Al+3].OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1formulaC16H10AlN2O8S2inchiInChI=1S/C16H10N2O8S2.Al/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+3/b14-13+;inchikeyKKHVNJFMNFIZLB-IERUDJENSA-Npolar_surface_area166.94refractivity101.29polarizability39.7rotatable_bond_count2acceptor_count10donor_count4physiological_charge-2formal_charge3Specdb::MsMs71091Specdb::MsMs71092Specdb::MsMs71093Specdb::MsMs129705Specdb::MsMs129706Specdb::MsMs129707HMDB37737#<Reference:0x0000555675ec36e8>