trisodium 4-[(2Z)-2-[3-oxidanylidene-6-[[(6E)-5-oxidanylidene-6-(phenylhydrazinylidene)-7-sulfonato-naphthalen-2-yl]carbamoylamino]-1-sulfonato-naphthalen-2-ylidene]hydrazinyl]benzoate

Systemtic Name: trisodium 4-[(2Z)-2-[3-oxidanylidene-6-[[(6E)-5-oxidanylidene-6-(phenylhydrazinylidene)-7-sulfonato-naphthalen-2-yl]carbamoylamino]-1-sulfonato-naphthalen-2-ylidene]hydrazinyl]benzoate Openeye Name: trisodium 4-[(2Z)-2-[3-oxo-6-[[(6E)-5-oxo-6-(phenylhydrazono)-7-sulfonato-2-naphthyl]carbamoylamino]-1-sulfonato-2-naphthylidene]hydrazino]benzoate CAS Name: trisodium 4-[(2Z)-2-[3-oxo-6-[[oxo-[[(6E)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonato-2-naphthalenyl]amino]methyl]amino]-1-sulfonato-2-naphthalenylidene]hydrazinyl]benzoate IUPAC Name: trisodium 4-[(2Z)-2-[3-oxo-6-[[(6E)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonatonaphthalen-2-yl]carbamoylamino]-1-sulfonatonaphthalen-2-ylidene]hydrazinyl]benzoate Traditional Name: trisodium 4-[(N'Z)-N'-[3-keto-6-[[(6E)-5-keto-6-(phenylhydrazono)-7-sulfonato-2-naphthyl]carbamoylamino]-1-sulfonato-2-naphthylidene]hydrazino]benzoate Formula: C34H21N6Na3O11S2 MolecularWeight: 822.66345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=O)C(=NNC6=CC=C(C=C6)C(=O)[O-])C(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=O)/C(=N/NC6=CC=C(C=C6)C(=O)[O-])/C(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H24N6O11S2.3Na/c41-27-16-19-14-24(11-13-26(19)32(53(49,50)51)29(27)39-38-22-8-6-18(7-9-22)33(43)44)36-34(45)35-23-10-12-25-20(15-23)17-28(52(46,47)48)30(31(25)42)40-37-21-4-2-1-3-5-21;;;/h1-17,37-38H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-29-,40-30-;;;