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

Systemtic Name: 2-acetamido-5-[(2E)-2-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 2-acetamido-5-[(2E)-2-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 2-acetamido-5-[(2E)-2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 2-acetamido-5-[(2E)-2-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 2-acetamido-5-[(N'E)-N'-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylic acid Formula: C15H15N3O5S MolecularWeight: 349.3617

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S/c1-9-3-6-14(20)13(7-9)18-17-11-4-5-12(16-10(2)19)15(8-11)24(21,22)23/h3-8,17H,1-2H3,(H,16,19)(H,21,22,23)/b18-13+