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4-methyl-3-phenylsulfanyl-benzoic acid

4-methyl-3-phenylsulfanyl-benzoic acid

Systemtic Name:4-methyl-3-phenylsulfanyl-benzoic acid
Openeye Name:4-methyl-3-phenylsulfanyl-benzoic acid
CAS Name:4-methyl-3-(phenylthio)benzoic acid
IUPAC Name:4-methyl-3-phenylsulfanylbenzoic acid
Traditional Name:4-methyl-3-(phenylthio)benzoic acid
Formula: C14H12O2S
MolecularWeight: 244.30888
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)SC2=CC=CC=C2


Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)SC2=CC=CC=C2


InChI

InChI=1S/C14H12O2S/c1-10-7-8-11(14(15)16)9-13(10)17-12-5-3-2-4-6-12/h2-9H,1H3,(H,15,16)


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