(2R)-7-bromanyl-5,5-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]oct-7-en-2-ol

Systemtic Name: (2R)-7-bromanyl-5,5-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]oct-7-en-2-ol Openeye Name: (2R)-7-bromo-5,5-dimethyl-1,1-bis[(S)-p-tolylsulfinyl]oct-7-en-2-ol CAS Name: (2R)-7-bromo-5,5-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]-7-octen-2-ol IUPAC Name: (2R)-7-bromo-5,5-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]oct-7-en-2-ol Traditional Name: (2R)-7-bromo-5,5-dimethyl-1,1-bis[(S)-p-tolylsulfinyl]oct-7-en-2-ol Formula: C24H31BrO3S2 MolecularWeight: 511.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(C(CCC(C)(C)CC(=C)Br)O)S(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)C([C@@H](CCC(C)(C)CC(=C)Br)O)[S@@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H31BrO3S2/c1-17-6-10-20(11-7-17)29(27)23(30(28)21-12-8-18(2)9-13-21)22(26)14-15-24(4,5)16-19(3)25/h6-13,22-23,26H,3,14-16H2,1-2,4-5H3/t22-,29+,30+/m1/s1