(2R,3R,4R)-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-7-phenyl-heptane-1,3-diol

Systemtic Name: (2R,3R,4R)-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-7-phenyl-heptane-1,3-diol Openeye Name: (2R,3R,4R)-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-7-phenyl-heptane-1,3-diol CAS Name: (2R,3R,4R)-4-[(4-methoxyphenyl)thio]-2,4-dimethyl-7-phenylheptane-1,3-diol IUPAC Name: (2R,3R,4R)-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-7-phenylheptane-1,3-diol Traditional Name: (2R,3R,4R)-4-[(4-methoxyphenyl)thio]-2,4-dimethyl-7-phenyl-heptane-1,3-diol Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C(C)(CCCC1=CC=CC=C1)SC2=CC=C(C=C2)OC)O

Isomeric SMILES

C[C@H](CO)[C@H]([C@@](C)(CCCC1=CC=CC=C1)SC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C22H30O3S/c1-17(16-23)21(24)22(2,15-7-10-18-8-5-4-6-9-18)26-20-13-11-19(25-3)12-14-20/h4-6,8-9,11-14,17,21,23-24H,7,10,15-16H2,1-3H3/t17-,21-,22-/m1/s1