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

Systemtic Name: 4-[(2E)-2-(3-butan-2-yl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-(4-oxo-3-sec-butyl-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-(3-butan-2-yl-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-(3-butan-2-yl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-(4-keto-3-sec-butyl-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-3-11(2)15-10-13(6-9-16(15)19)18-17-12-4-7-14(8-5-12)23(20,21)22/h4-11,17H,3H2,1-2H3,(H,20,21,22)/b18-13+