[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-(3,5,5-trimethyl-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino] ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)C)CC(C1)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-12-5-7-15(8-6-12)21(18,19)20-17-14-9-13(2)10-16(3,4)11-14/h5-9H,10-11H2,1-4H3/b17-14-