[(1R)-4,4-bis(phenylsulfanyl)-1-(4-propan-2-ylphenyl)but-3-enyl] ethanoate

Systemtic Name: [(1R)-4,4-bis(phenylsulfanyl)-1-(4-propan-2-ylphenyl)but-3-enyl] ethanoate Openeye Name: [(1R)-1-(4-isopropylphenyl)-4,4-bis(phenylsulfanyl)but-3-enyl] acetate CAS Name: acetic acid [(1R)-4,4-bis(phenylthio)-1-(4-propan-2-ylphenyl)but-3-enyl] ester IUPAC Name: [(1R)-4,4-bis(phenylsulfanyl)-1-(4-propan-2-ylphenyl)but-3-enyl] acetate Traditional Name: acetic acid [(1R)-1-p-cumenyl-4,4-bis(phenylthio)but-3-enyl] ester Formula: C27H28O2S2 MolecularWeight: 448.64002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CC=C(SC2=CC=CC=C2)SC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](CC=C(SC2=CC=CC=C2)SC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C27H28O2S2/c1-20(2)22-14-16-23(17-15-22)26(29-21(3)28)18-19-27(30-24-10-6-4-7-11-24)31-25-12-8-5-9-13-25/h4-17,19-20,26H,18H2,1-3H3/t26-/m1/s1