[2-[(Z)-N-ethoxy-C-pentyl-carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(Z)-N-ethoxy-C-pentyl-carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(Z)-N-ethoxy-C-pentyl-carbonimidoyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(1Z)-1-ethoxyiminohexyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[(Z)-N-ethoxy-C-pentylcarbonimidoyl]-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(Z)-C-amyl-N-ethoxy-carbonimidoyl]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=NOCC)C1=C(CC(CC1=O)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC/C(=N/OCC)/C1=C(CC(CC1=O)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H33NO5S/c1-6-8-9-10-19(24-28-7-2)22-20(25)15-23(4,5)16-21(22)29-30(26,27)18-13-11-17(3)12-14-18/h11-14H,6-10,15-16H2,1-5H3/b24-19-