4-methanoyl-3-methylsulfanyl-benzoic acid

Systemtic Name: 4-methanoyl-3-methylsulfanyl-benzoic acid Openeye Name: 4-formyl-3-methylsulfanyl-benzoic acid CAS Name: 4-formyl-3-(methylthio)benzoic acid IUPAC Name: 4-formyl-3-methylsulfanylbenzoic acid Traditional Name: 4-formyl-3-(methylthio)benzoic acid Formula: C9H8O3S MolecularWeight: 196.22302

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(=O)O)C=O

Isomeric SMILES

CSC1=C(C=CC(=C1)C(=O)O)C=O

InChI

InChI=1S/C9H8O3S/c1-13-8-4-6(9(11)12)2-3-7(8)5-10/h2-5H,1H3,(H,11,12)