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

Systemtic Name: 2-methyl-5-[(2E)-2-[3-(2-methylbutan-2-yl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 5-[(2E)-2-[3-(1,1-dimethylpropyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]-2-methyl-benzenesulfonic acid CAS Name: 2-methyl-5-[(2E)-2-[3-(2-methylbutan-2-yl)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 2-methyl-5-[(2E)-2-[3-(2-methylbutan-2-yl)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 5-[(N'E)-N'-(3-tert-amyl-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-methyl-besylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=NNC2=CC(=C(C=C2)C)S(=O)(=O)O)C(=O)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-5-18(3,4)13-7-9-16(21)15(10-13)20-19-14-8-6-12(2)17(11-14)25(22,23)24/h6-11,19H,5H2,1-4H3,(H,22,23,24)/b20-15+