Summary
SMILES: CC1=C(CS(=O)(=O)c2ccccc2)C(CCC1)(C)CInChI: InChI=1S/C16H22O2S/c1-13-8-7-11-16(2,3)15(13)12-19(17,18)14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-12H2,1-3H3InChIKey: WQRHISGXRFLGKQ-UHFFFAOYSA-N
DeepSMILES: CC=CCS=O)=O)cccccc6))))))))CCCC6)))C)C
Scaffold Graph/Node/Bond level: O=S(=O)(CC1=CCCCC1)c1ccccc1
Scaffold Graph/Node level: OS(O)(CC1CCCCC1)C1CCCCC1
Scaffold Graph level: CC(C)(CC1CCCCC1)C1CCCCC1
Functional groups: CC(C)=C(C)C; cS(C)(=O)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Benzene and substituted derivatives
ClassyFire Subclass: Benzenesulfonyl compounds
NP Classifier Biosynthetic pathway: Terpenoids
Synonymous chemical names:(2,6,6-trimethylcyclohex-1-enylmethanesulfonyl)benzene
External chemical identifiers:CID:586248; SureChEMBL:SCHEMBL3393374
Chemical structure download