(2R,5R)-2-[2-[(4-heptylphenyl)methylsulfanyl]propan-2-yl]-5-methyl-cyclohexan-1-one

Systemtic Name: (2R,5R)-2-[2-[(4-heptylphenyl)methylsulfanyl]propan-2-yl]-5-methyl-cyclohexan-1-one Openeye Name: (2R,5R)-2-[1-[(4-heptylphenyl)methylsulfanyl]-1-methyl-ethyl]-5-methyl-cyclohexanone CAS Name: (2R,5R)-2-[2-[(4-heptylphenyl)methylthio]propan-2-yl]-5-methyl-1-cyclohexanone IUPAC Name: (2R,5R)-2-[2-[(4-heptylphenyl)methylsulfanyl]propan-2-yl]-5-methylcyclohexan-1-one Traditional Name: (2R,5R)-2-[1-[(4-heptylbenzyl)thio]-1-methyl-ethyl]-5-methyl-cyclohexanone Formula: C24H38OS MolecularWeight: 374.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CSC(C)(C)C2CCC(CC2=O)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CSC(C)(C)[C@@H]2CC[C@H](CC2=O)C

InChI

InChI=1S/C24H38OS/c1-5-6-7-8-9-10-20-12-14-21(15-13-20)18-26-24(3,4)22-16-11-19(2)17-23(22)25/h12-15,19,22H,5-11,16-18H2,1-4H3/t19-,22-/m1/s1