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2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzoic acid

2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzoic acid

Systemtic Name:2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzoic acid
Openeye Name:2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]benzoic acid
CAS Name:2-[(5-acetyl-2-methoxyphenyl)methylthio]benzoic acid
IUPAC Name:2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]benzoic acid
Traditional Name:2-[(5-acetyl-2-methoxy-benzyl)thio]benzoic acid
Formula: C17H16O4S
MolecularWeight: 316.37154
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=CC=CC=C2C(=O)O


Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=CC=CC=C2C(=O)O


InChI

InChI=1S/C17H16O4S/c1-11(18)12-7-8-15(21-2)13(9-12)10-22-16-6-4-3-5-14(16)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)


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