[5-(3-ethanoyl-2,4,6-trimethyl-phenyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(3-ethanoyl-2,4,6-trimethyl-phenyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-(3-acetyl-2,4,6-trimethyl-phenyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxo-cyclohexen-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(3-acetyl-2,4,6-trimethylphenyl)-2-[(1Z)-1-ethoxyiminobutyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(3-acetyl-2,4,6-trimethylphenyl)-2-[(Z)-N-ethoxy-C-propylcarbonimidoyl]-3-oxocyclohexen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(3-acetyl-2,4,6-trimethyl-phenyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-keto-cyclohexen-1-yl] ester Formula: C30H37NO6S MolecularWeight: 539.68288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCC)C1=C(CC(CC1=O)C2=C(C=C(C(=C2C)C(=O)C)C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC/C(=N/OCC)/C1=C(CC(CC1=O)C2=C(C=C(C(=C2C)C(=O)C)C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C30H37NO6S/c1-8-10-25(31-36-9-2)30-26(33)16-23(29-20(5)15-19(4)28(21(29)6)22(7)32)17-27(30)37-38(34,35)24-13-11-18(3)12-14-24/h11-15,23H,8-10,16-17H2,1-7H3/b31-25-