[2-[(E)-N-ethoxy-C-ethyl-carbonimidoyl]-5-hexyl-3-oxidanylidene-cyclohexen-1-yl] benzenesulfonate

Systemtic Name: [2-[(E)-N-ethoxy-C-ethyl-carbonimidoyl]-5-hexyl-3-oxidanylidene-cyclohexen-1-yl] benzenesulfonate Openeye Name: [2-[(E)-N-ethoxy-C-ethyl-carbonimidoyl]-5-hexyl-3-oxo-cyclohexen-1-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(1E)-1-ethoxyiminopropyl]-5-hexyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-5-hexyl-3-oxocyclohexen-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-N-ethoxy-C-ethyl-carbonimidoyl]-5-hexyl-3-keto-cyclohexen-1-yl] ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(=C(C(=O)C1)C(=NOCC)CC)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1CC(=C(C(=O)C1)/C(=N/OCC)/CC)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H33NO5S/c1-4-7-8-10-13-18-16-21(25)23(20(5-2)24-28-6-3)22(17-18)29-30(26,27)19-14-11-9-12-15-19/h9,11-12,14-15,18H,4-8,10,13,16-17H2,1-3H3/b24-20+