6-[(2E)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(2E)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]pyridine-3-carboxylic acid Openeye Name: 6-[(2E)-2-(1-oxo-4-sulfo-2-naphthylidene)hydrazino]pyridine-3-carboxylic acid CAS Name: 6-[(2E)-2-(1-oxo-4-sulfo-2-naphthalenylidene)hydrazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(2E)-2-(1-oxo-4-sulfonaphthalen-2-ylidene)hydrazinyl]pyridine-3-carboxylic acid Traditional Name: 6-[(N'E)-N'-(1-keto-4-sulfo-2-naphthylidene)hydrazino]nicotinic acid Formula: C16H11N3O6S MolecularWeight: 373.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=NNC3=NC=C(C=C3)C(=O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C(=N\NC3=NC=C(C=C3)C(=O)O)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C16H11N3O6S/c20-15-11-4-2-1-3-10(11)13(26(23,24)25)7-12(15)18-19-14-6-5-9(8-17-14)16(21)22/h1-8H,(H,17,19)(H,21,22)(H,23,24,25)/b18-12+