4-[(4-carboxyphenyl)methylsulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-carboxyphenyl)methylsulfanylmethyl]benzoic acid Openeye Name: 4-[(4-carboxyphenyl)methylsulfanylmethyl]benzoic acid CAS Name: 4-[[(4-carboxyphenyl)methylthio]methyl]benzoic acid IUPAC Name: 4-[(4-carboxyphenyl)methylsulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-carboxybenzyl)thio]methyl]benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14O4S/c17-15(18)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)