2-(phenylsulfonyl)-2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethanoic acid

Systemtic Name: 2-(phenylsulfonyl)-2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethanoic acid Openeye Name: 2-(benzenesulfonyl)-2-(3,3,6,6-tetramethylcyclohexen-1-yl)acetic acid CAS Name: 2-(benzenesulfonyl)-2-(3,3,6,6-tetramethyl-1-cyclohexenyl)acetic acid IUPAC Name: 2-(benzenesulfonyl)-2-(3,3,6,6-tetramethylcyclohexen-1-yl)acetic acid Traditional Name: 2-besyl-2-(3,3,6,6-tetramethylcyclohexen-1-yl)acetic acid Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(=C1)C(C(=O)O)S(=O)(=O)C2=CC=CC=C2)(C)C)C

Isomeric SMILES

CC1(CCC(C(=C1)C(C(=O)O)S(=O)(=O)C2=CC=CC=C2)(C)C)C

InChI

InChI=1S/C18H24O4S/c1-17(2)10-11-18(3,4)14(12-17)15(16(19)20)23(21,22)13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3,(H,19,20)