disodium 2-[(2Z)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoate

Systemtic Name: disodium 2-[(2Z)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoate Openeye Name: disodium 2-[(2Z)-2-(1-oxo-4-sulfo-2-naphthylidene)hydrazino]benzoate CAS Name: disodium 2-[(2Z)-2-(1-oxo-4-sulfo-2-naphthalenylidene)hydrazinyl]benzoate IUPAC Name: disodium 2-[(2Z)-2-(1-oxo-4-sulfonaphthalen-2-ylidene)hydrazinyl]benzoate Traditional Name: disodium 2-[(N'Z)-N'-(1-keto-4-sulfo-2-naphthylidene)hydrazino]benzoate Formula: C34H22N4Na2O12S2 MolecularWeight: 788.66762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=NNC3=CC=CC=C3C(=O)[O-])C2=O)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC(=NNC3=CC=CC=C3C(=O)[O-])C2=O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=O)/C(=N\NC3=CC=CC=C3C(=O)[O-])/C=C(C2=C1)S(=O)(=O)O.C1=CC=C2C(=O)/C(=N\NC3=CC=CC=C3C(=O)[O-])/C=C(C2=C1)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/2C17H12N2O6S.2Na/c2*20-16-11-6-2-1-5-10(11)15(26(23,24)25)9-14(16)19-18-13-8-4-3-7-12(13)17(21)22;;/h2*1-9,18H,(H,21,22)(H,23,24,25);;/q;;2*+1/p-2/b2*19-14-;;