2-acetamido-5-[(2E)-2-(3,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 2-acetamido-5-[(2E)-2-(3,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 2-acetamido-5-[(2E)-2-(3,5-dimethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 2-acetamido-5-[(2E)-2-(3,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 2-acetamido-5-[(2E)-2-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 2-acetamido-5-[(N'E)-N'-(6-keto-3,5-dimethyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylic acid Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=CC(=C(C=C2)NC(=O)C)S(=O)(=O)O)C(=O)C(=C1)C

Isomeric SMILES

CC1=C/C(=N\NC2=CC(=C(C=C2)NC(=O)C)S(=O)(=O)O)/C(=O)C(=C1)C

InChI

InChI=1S/C16H17N3O5S/c1-9-6-10(2)16(21)14(7-9)19-18-12-4-5-13(17-11(3)20)15(8-12)25(22,23)24/h4-8,18H,1-3H3,(H,17,20)(H,22,23,24)/b19-14+