7-methyl-1-(3-sulfanylphenyl)octan-1-one

Systemtic Name: 7-methyl-1-(3-sulfanylphenyl)octan-1-one Openeye Name: 7-methyl-1-(3-sulfanylphenyl)octan-1-one CAS Name: 1-(3-mercaptophenyl)-7-methyl-1-octanone IUPAC Name: 7-methyl-1-(3-sulfanylphenyl)octan-1-one Traditional Name: 1-(3-mercaptophenyl)-7-methyl-octan-1-one Formula: C15H22OS MolecularWeight: 250.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22OS/c1-12(2)7-4-3-5-10-15(16)13-8-6-9-14(17)11-13/h6,8-9,11-12,17H,3-5,7,10H2,1-2H3