S-(phenylmethyl) (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enethioate

Systemtic Name: S-(phenylmethyl) (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enethioate Openeye Name: S-benzyl (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enethioate CAS Name: (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enethioate Traditional Name: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enethioic acid S-benzyl ester Formula: C20H26OS MolecularWeight: 314.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CC=CC(=O)SCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)C/C=C/C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C20H26OS/c1-16-9-8-14-20(2,3)18(16)12-7-13-19(21)22-15-17-10-5-4-6-11-17/h4-7,10-11,13H,8-9,12,14-15H2,1-3H3/b13-7+