[2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritio-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritio-propyl] 4-methylbenzenesulfonate Openeye Name: [2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritio-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(1S)-4-methyl-1-cyclohex-3-enyl]-1-tritiopropyl] ester IUPAC Name: [2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritio-propyl] ester Formula: C17H24O3S MolecularWeight: 310.443769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)C(C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

[3H]C(C(C)[C@H]1CCC(=CC1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H24O3S/c1-13-4-8-16(9-5-13)15(3)12-20-21(18,19)17-10-6-14(2)7-11-17/h4,6-7,10-11,15-16H,5,8-9,12H2,1-3H3/t15?,16-/m1/s1/i12T/t12?,15?,16-