(3R,4S)-3-methyl-1-[(R)-(4-methylphenyl)sulfinyl]-4-oxidanyl-nonan-2-one

Systemtic Name: (3R,4S)-3-methyl-1-[(R)-(4-methylphenyl)sulfinyl]-4-oxidanyl-nonan-2-one Openeye Name: (3R,4S)-4-hydroxy-3-methyl-1-[(R)-p-tolylsulfinyl]nonan-2-one CAS Name: (3R,4S)-4-hydroxy-3-methyl-1-[(R)-(4-methylphenyl)sulfinyl]-2-nonanone IUPAC Name: (3R,4S)-4-hydroxy-3-methyl-1-[(R)-(4-methylphenyl)sulfinyl]nonan-2-one Traditional Name: (3R,4S)-4-hydroxy-3-methyl-1-[(R)-p-tolylsulfinyl]nonan-2-one Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)C(=O)CS(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCC[C@@H]([C@@H](C)C(=O)C[S@@](=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C17H26O3S/c1-4-5-6-7-16(18)14(3)17(19)12-21(20)15-10-8-13(2)9-11-15/h8-11,14,16,18H,4-7,12H2,1-3H3/t14-,16+,21-/m1/s1