trisodium 5-[2-[2-(2-azanylidene-8-oxidanylidene-6-sulfonato-naphthalen-1-yl)hydrazinyl]-4-sulfonato-phenyl]sulfonyl-2-oxidanyl-benzoate

Systemtic Name: trisodium 5-[2-[2-(2-azanylidene-8-oxidanylidene-6-sulfonato-naphthalen-1-yl)hydrazinyl]-4-sulfonato-phenyl]sulfonyl-2-oxidanyl-benzoate Openeye Name: trisodium 2-hydroxy-5-[2-[2-(2-imino-8-oxo-6-sulfonato-1-naphthyl)hydrazino]-4-sulfonato-phenyl]sulfonyl-benzoate CAS Name: trisodium 2-hydroxy-5-[2-[(2-imino-8-oxo-6-sulfonato-1-naphthalenyl)hydrazo]-4-sulfonatophenyl]sulfonylbenzoate IUPAC Name: trisodium 2-hydroxy-5-[2-[2-(2-imino-8-oxo-6-sulfonatonaphthalen-1-yl)hydrazinyl]-4-sulfonatophenyl]sulfonylbenzoate Traditional Name: trisodium 2-hydroxy-5-[2-[N'-(2-imino-8-keto-6-sulfonato-1-naphthyl)hydrazino]-4-sulfonato-phenyl]sulfonyl-benzoate Formula: C23H14N3Na3O12S3 MolecularWeight: 689.53447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)[O-])NNC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)[O-])NNC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H17N3O12S3.3Na/c24-16-4-1-11-7-14(41(36,37)38)10-19(28)21(11)22(16)26-25-17-9-13(40(33,34)35)3-6-20(17)39(31,32)12-2-5-18(27)15(8-12)23(29)30;;;/h1-10,24-27H,(H,29,30)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3