(3S)-3-nonyl-3-(phenylsulfanylmethyl)-2-(2,4,6-trimethylphenyl)sulfonyl-cyclopentan-1-one

Systemtic Name: (3S)-3-nonyl-3-(phenylsulfanylmethyl)-2-(2,4,6-trimethylphenyl)sulfonyl-cyclopentan-1-one Openeye Name: (3S)-3-nonyl-3-(phenylsulfanylmethyl)-2-(2,4,6-trimethylphenyl)sulfonyl-cyclopentanone CAS Name: (3S)-3-nonyl-3-[(phenylthio)methyl]-2-(2,4,6-trimethylphenyl)sulfonyl-1-cyclopentanone IUPAC Name: (3S)-3-nonyl-3-(phenylsulfanylmethyl)-2-(2,4,6-trimethylphenyl)sulfonylcyclopentan-1-one Traditional Name: (3S)-2-mesitylsulfonyl-3-nonyl-3-[(phenylthio)methyl]cyclopentanone Formula: C30H42O3S2 MolecularWeight: 514.78268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(=O)C1S(=O)(=O)C2=C(C=C(C=C2C)C)C)CSC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC[C@]1(CCC(=O)C1S(=O)(=O)C2=C(C=C(C=C2C)C)C)CSC3=CC=CC=C3

InChI

InChI=1S/C30H42O3S2/c1-5-6-7-8-9-10-14-18-30(22-34-26-15-12-11-13-16-26)19-17-27(31)29(30)35(32,33)28-24(3)20-23(2)21-25(28)4/h11-13,15-16,20-21,29H,5-10,14,17-19,22H2,1-4H3/t29?,30-/m0/s1