(3S,4S,6R)-4,6-dimethyl-2-methylidene-7,7-bis(phenylsulfanyl)heptane-1,3-diol

Systemtic Name: (3S,4S,6R)-4,6-dimethyl-2-methylidene-7,7-bis(phenylsulfanyl)heptane-1,3-diol Openeye Name: (3S,4S,6R)-4,6-dimethyl-2-methylene-7,7-bis(phenylsulfanyl)heptane-1,3-diol CAS Name: (3S,4S,6R)-4,6-dimethyl-2-methylene-7,7-bis(phenylthio)heptane-1,3-diol IUPAC Name: (3S,4S,6R)-4,6-dimethyl-2-methylidene-7,7-bis(phenylsulfanyl)heptane-1,3-diol Traditional Name: (3S,4S,6R)-4,6-dimethyl-2-methylene-7,7-bis(phenylthio)heptane-1,3-diol Formula: C22H28O2S2 MolecularWeight: 388.58652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O2S2/c1-16(21(24)18(3)15-23)14-17(2)22(25-19-10-6-4-7-11-19)26-20-12-8-5-9-13-20/h4-13,16-17,21-24H,3,14-15H2,1-2H3/t16-,17+,21-/m0/s1