1-[3-ethyl-4-[(3-methylphenyl)-sulfanyl-methoxy]phenyl]-2-oxidanyl-ethanone

Systemtic Name: 1-[3-ethyl-4-[(3-methylphenyl)-sulfanyl-methoxy]phenyl]-2-oxidanyl-ethanone Openeye Name: 1-[3-ethyl-4-[m-tolyl(sulfanyl)methoxy]phenyl]-2-hydroxy-ethanone CAS Name: 1-[3-ethyl-4-[mercapto-(3-methylphenyl)methoxy]phenyl]-2-hydroxyethanone IUPAC Name: 1-[3-ethyl-4-[(3-methylphenyl)-sulfanylmethoxy]phenyl]-2-hydroxyethanone Traditional Name: 1-[3-ethyl-4-[mercapto(m-tolyl)methoxy]phenyl]-2-hydroxy-ethanone Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)CO)OC(C2=CC=CC(=C2)C)S

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)CO)OC(C2=CC=CC(=C2)C)S

InChI

InChI=1S/C18H20O3S/c1-3-13-10-14(16(20)11-19)7-8-17(13)21-18(22)15-6-4-5-12(2)9-15/h4-10,18-19,22H,3,11H2,1-2H3