[(2R,3S,4S)-4-methyl-3,5,5-tris(phenylsulfanyl)heptan-2-yl] benzoate

Systemtic Name: [(2R,3S,4S)-4-methyl-3,5,5-tris(phenylsulfanyl)heptan-2-yl] benzoate Openeye Name: [(1R,2S,3S)-1,3-dimethyl-2,4,4-tris(phenylsulfanyl)hexyl] benzoate CAS Name: benzoic acid [(2R,3S,4S)-4-methyl-3,5,5-tris(phenylthio)heptan-2-yl] ester IUPAC Name: [(2R,3S,4S)-4-methyl-3,5,5-tris(phenylsulfanyl)heptan-2-yl] benzoate Traditional Name: benzoic acid [(1R,2S,3S)-1,3-dimethyl-2,4,4-tris(phenylthio)hexyl] ester Formula: C33H34O2S3 MolecularWeight: 558.81686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C(C)OC(=O)C1=CC=CC=C1)SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCC([C@@H](C)[C@@H]([C@@H](C)OC(=O)C1=CC=CC=C1)SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C33H34O2S3/c1-4-33(37-29-21-13-7-14-22-29,38-30-23-15-8-16-24-30)25(2)31(36-28-19-11-6-12-20-28)26(3)35-32(34)27-17-9-5-10-18-27/h5-26,31H,4H2,1-3H3/t25-,26+,31-/m0/s1