(2R)-6-bromanyl-4,4-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]hept-6-en-2-ol

Systemtic Name: (2R)-6-bromanyl-4,4-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]hept-6-en-2-ol Openeye Name: (2R)-6-bromo-4,4-dimethyl-1,1-bis[(S)-p-tolylsulfinyl]hept-6-en-2-ol CAS Name: (2R)-6-bromo-4,4-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]-6-hepten-2-ol IUPAC Name: (2R)-6-bromo-4,4-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]hept-6-en-2-ol Traditional Name: (2R)-6-bromo-4,4-dimethyl-1,1-bis[(S)-p-tolylsulfinyl]hept-6-en-2-ol Formula: C23H29BrO3S2 MolecularWeight: 497.50856

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H29BrO3S2/c1-16-6-10-19(11-7-16)28(26)22(21(25)15-23(4,5)14-18(3)24)29(27)20-12-8-17(2)9-13-20/h6-13,21-22,25H,3,14-15H2,1-2,4-5H3/t21-,28+,29+/m1/s1