sodium 4-[(2E)-2-(8-azanyl-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: sodium 4-[(2E)-2-(8-azanyl-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[(2E)-2-(8-amino-1-oxo-3,6-disulfo-2-naphthylidene)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2E)-2-(8-amino-1-oxo-3,6-disulfo-2-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(N'E)-N'-(8-amino-1-keto-3,6-disulfo-2-naphthylidene)hydrazino]besylate Formula: C16H12N3NaO10S3 MolecularWeight: 525.46535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=CC(=CC(=C3C2=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C(=CC3=CC(=CC(=C3C2=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H13N3O10S3.Na/c17-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)19-18-9-1-3-10(4-2-9)30(21,22)23;/h1-7,18H,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);/q;+1/p-1/b19-15-;