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2,3,4,5-tetramethyl-6-phenacylsulfanyl-benzoic acid

2,3,4,5-tetramethyl-6-phenacylsulfanyl-benzoic acid

Systemtic Name:2,3,4,5-tetramethyl-6-phenacylsulfanyl-benzoic acid
Openeye Name:2,3,4,5-tetramethyl-6-phenacylsulfanyl-benzoic acid
CAS Name:2,3,4,5-tetramethyl-6-(phenacylthio)benzoic acid
IUPAC Name:2,3,4,5-tetramethyl-6-phenacylsulfanylbenzoic acid
Traditional Name:2,3,4,5-tetramethyl-6-(phenacylthio)benzoic acid
Formula: C19H20O3S
MolecularWeight: 328.4253
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C(=O)O)SCC(=O)C2=CC=CC=C2)C)C


Isomeric SMILES

CC1=C(C(=C(C(=C1C)C(=O)O)SCC(=O)C2=CC=CC=C2)C)C


InChI

InChI=1S/C19H20O3S/c1-11-12(2)14(4)18(17(13(11)3)19(21)22)23-10-16(20)15-8-6-5-7-9-15/h5-9H,10H2,1-4H3,(H,21,22)


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