[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(phenylmethylsulfanyl)propyl] benzoate

Systemtic Name: [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(phenylmethylsulfanyl)propyl] benzoate Openeye Name: [(1S)-3,3-bis(benzylsulfanyl)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl] benzoate CAS Name: benzoic acid [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(phenylmethylthio)propyl] ester IUPAC Name: [(1S)-3,3-bis(benzylsulfanyl)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl] benzoate Traditional Name: benzoic acid [(1S)-3,3-bis(benzylthio)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl] ester Formula: C29H32O4S2 MolecularWeight: 508.69198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(CC(SCC2=CC=CC=C2)SCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(OC[C@H](O1)[C@H](CC(SCC2=CC=CC=C2)SCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C29H32O4S2/c1-29(2)31-19-26(33-29)25(32-28(30)24-16-10-5-11-17-24)18-27(34-20-22-12-6-3-7-13-22)35-21-23-14-8-4-9-15-23/h3-17,25-27H,18-21H2,1-2H3/t25-,26-/m0/s1