6-(3-methoxyphenyl)sulfanyl-1-oxidanyl-heptan-2-one

Systemtic Name: 6-(3-methoxyphenyl)sulfanyl-1-oxidanyl-heptan-2-one Openeye Name: 1-hydroxy-6-(3-methoxyphenyl)sulfanyl-heptan-2-one CAS Name: 1-hydroxy-6-[(3-methoxyphenyl)thio]-2-heptanone IUPAC Name: 1-hydroxy-6-(3-methoxyphenyl)sulfanylheptan-2-one Traditional Name: 1-hydroxy-6-[(3-methoxyphenyl)thio]heptan-2-one Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)CO)SC1=CC=CC(=C1)OC

Isomeric SMILES

CC(CCCC(=O)CO)SC1=CC=CC(=C1)OC

InChI

InChI=1S/C14H20O3S/c1-11(5-3-6-12(16)10-15)18-14-8-4-7-13(9-14)17-2/h4,7-9,11,15H,3,5-6,10H2,1-2H3