4-[4-(sulfanylmethyl)phenyl]carbonylbenzoic acid

Systemtic Name: 4-[4-(sulfanylmethyl)phenyl]carbonylbenzoic acid Openeye Name: 4-[4-(sulfanylmethyl)benzoyl]benzoic acid CAS Name: 4-[[4-(mercaptomethyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-(sulfanylmethyl)benzoyl]benzoic acid Traditional Name: 4-[4-(mercaptomethyl)benzoyl]benzoic acid Formula: C15H12O3S MolecularWeight: 272.31898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS)C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CS)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H12O3S/c16-14(11-3-1-10(9-19)2-4-11)12-5-7-13(8-6-12)15(17)18/h1-8,19H,9H2,(H,17,18)