7-(phenylsulfonyl)-7-(2,6,6-trimethylcyclohexen-1-yl)heptanoic acid

Systemtic Name: 7-(phenylsulfonyl)-7-(2,6,6-trimethylcyclohexen-1-yl)heptanoic acid Openeye Name: 7-(benzenesulfonyl)-7-(2,6,6-trimethylcyclohexen-1-yl)heptanoic acid CAS Name: 7-(benzenesulfonyl)-7-(2,6,6-trimethyl-1-cyclohexenyl)heptanoic acid IUPAC Name: 7-(benzenesulfonyl)-7-(2,6,6-trimethylcyclohexen-1-yl)heptanoic acid Traditional Name: 7-besyl-7-(2,6,6-trimethylcyclohexen-1-yl)enanthic acid Formula: C22H32O4S MolecularWeight: 392.55208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C(CCCCCC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)C(CCCCCC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H32O4S/c1-17-11-10-16-22(2,3)21(17)19(14-8-5-9-15-20(23)24)27(25,26)18-12-6-4-7-13-18/h4,6-7,12-13,19H,5,8-11,14-16H2,1-3H3,(H,23,24)