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2-[(3-chlorophenyl)methylsulfanyl]terephthalic acid

2-[(3-chlorophenyl)methylsulfanyl]terephthalic acid

Systemtic Name:2-[(3-chlorophenyl)methylsulfanyl]terephthalic acid
Openeye Name:2-[(3-chlorophenyl)methylsulfanyl]terephthalic acid
CAS Name:2-[(3-chlorophenyl)methylthio]terephthalic acid
IUPAC Name:2-[(3-chlorophenyl)methylsulfanyl]terephthalic acid
Traditional Name:2-[(3-chlorobenzyl)thio]terephthalic acid
Formula: C15H11ClO4S
MolecularWeight: 322.76344
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=C(C=CC(=C2)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=C(C=CC(=C2)C(=O)O)C(=O)O


InChI

InChI=1S/C15H11ClO4S/c16-11-3-1-2-9(6-11)8-21-13-7-10(14(17)18)4-5-12(13)15(19)20/h1-7H,8H2,(H,17,18)(H,19,20)


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