[(1R)-2-tert-butylsulfinyl-1-(1-methylcyclohexa-2,5-dien-1-yl)ethyl] benzoate

Systemtic Name: [(1R)-2-tert-butylsulfinyl-1-(1-methylcyclohexa-2,5-dien-1-yl)ethyl] benzoate Openeye Name: [(1R)-2-tert-butylsulfinyl-1-(1-methylcyclohexa-2,5-dien-1-yl)ethyl] benzoate CAS Name: benzoic acid [(1R)-2-tert-butylsulfinyl-1-(1-methyl-1-cyclohexa-2,5-dienyl)ethyl] ester IUPAC Name: [(1R)-2-tert-butylsulfinyl-1-(1-methylcyclohexa-2,5-dien-1-yl)ethyl] benzoate Traditional Name: benzoic acid [(1R)-2-tert-butylsulfinyl-1-(1-methylcyclohexa-2,5-dien-1-yl)ethyl] ester Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CCC=C1)C(CS(=O)C(C)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1(C=CCC=C1)[C@H](CS(=O)C(C)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H26O3S/c1-19(2,3)24(22)15-17(20(4)13-9-6-10-14-20)23-18(21)16-11-7-5-8-12-16/h5,7-14,17H,6,15H2,1-4H3/t17-,24?/m0/s1