trisodium 4-[[5-methoxy-2-methyl-4-[(2E)-2-(1-oxidanylidene-6-phenylazanyl-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: trisodium 4-[[5-methoxy-2-methyl-4-[(2E)-2-(1-oxidanylidene-6-phenylazanyl-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: trisodium 4-[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonato-2-naphthylidene)hydrazino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: trisodium 4-[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonato-2-naphthalenylidene)hydrazinyl]-5-methoxy-2-methylphenyl]azo-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: trisodium 4-[[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: trisodium 4-[4-[(N'E)-N'-(6-anilino-1-keto-3-sulfonato-2-naphthylidene)hydrazino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonate Formula: C34H24N5Na3O12S3 MolecularWeight: 859.74497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NN=C4C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)N/N=C\4/C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H27N5O12S3.3Na/c1-18-10-27(37-39-33-31(54(48,49)50)14-19-11-22(8-9-25(19)34(33)41)35-21-6-4-3-5-7-21)30(51-2)17-26(18)36-38-28-15-23(52(42,43)44)12-20-13-24(53(45,46)47)16-29(40)32(20)28;;;/h3-17,35,37,40H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b38-36?,39-33-;;;