[(2S,4R)-2,4-dimethyl-5,5-bis(phenylsulfanyl)pentyl] ethanoate

Systemtic Name: [(2S,4R)-2,4-dimethyl-5,5-bis(phenylsulfanyl)pentyl] ethanoate Openeye Name: [(2S,4R)-2,4-dimethyl-5,5-bis(phenylsulfanyl)pentyl] acetate CAS Name: acetic acid [(2S,4R)-2,4-dimethyl-5,5-bis(phenylthio)pentyl] ester IUPAC Name: [(2S,4R)-2,4-dimethyl-5,5-bis(phenylsulfanyl)pentyl] acetate Traditional Name: acetic acid [(2S,4R)-2,4-dimethyl-5,5-bis(phenylthio)pentyl] ester Formula: C21H26O2S2 MolecularWeight: 374.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(SC1=CC=CC=C1)SC2=CC=CC=C2)COC(=O)C

Isomeric SMILES

C[C@@H](C[C@@H](C)C(SC1=CC=CC=C1)SC2=CC=CC=C2)COC(=O)C

InChI

InChI=1S/C21H26O2S2/c1-16(15-23-18(3)22)14-17(2)21(24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-13,16-17,21H,14-15H2,1-3H3/t16-,17+/m0/s1