2-(phenylmethyl)-3-sulfanyl-terephthalic acid

Systemtic Name: 2-(phenylmethyl)-3-sulfanyl-terephthalic acid Openeye Name: 2-benzyl-3-sulfanyl-terephthalic acid CAS Name: 2-mercapto-3-(phenylmethyl)terephthalic acid IUPAC Name: 2-benzyl-3-sulfanylterephthalic acid Traditional Name: 2-benzyl-3-mercapto-terephthalic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2S)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2S)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12O4S/c16-14(17)10-6-7-11(15(18)19)13(20)12(10)8-9-4-2-1-3-5-9/h1-7,20H,8H2,(H,16,17)(H,18,19)