trisodium 4-oxidanyl-5-[2-(2-oxidanylidene-4-phenylazanyl-5-sulfonato-naphthalen-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonate

Systemtic Name: trisodium 4-oxidanyl-5-[2-(2-oxidanylidene-4-phenylazanyl-5-sulfonato-naphthalen-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonate Openeye Name: trisodium 4-[2-(4-anilino-2-oxo-5-sulfonato-1-naphthylidene)hydrazino]-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: trisodium 4-[2-(4-anilino-2-oxo-5-sulfonato-1-naphthalenylidene)hydrazinyl]-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: trisodium 4-[2-(4-anilino-2-oxo-5-sulfonatonaphthalen-1-ylidene)hydrazinyl]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: trisodium 4-[N'-(4-anilino-2-keto-5-sulfonato-1-naphthylidene)hydrazino]-5-hydroxy-naphthalene-2,7-disulfonate Formula: C26H16N3Na3O11S3 MolecularWeight: 711.58305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(=O)C(=NNC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-])C5=C2C(=CC=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(=O)C(=NNC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-])C5=C2C(=CC=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H19N3O11S3.3Na/c30-21-12-17(42(35,36)37)10-14-9-16(41(32,33)34)11-20(24(14)21)28-29-26-18-7-4-8-23(43(38,39)40)25(18)19(13-22(26)31)27-15-5-2-1-3-6-15;;;/h1-13,27-28,30H,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3