2-methyl-4-methylsulfanyl-3-propoxycarbonyl-benzoic acid

Systemtic Name: 2-methyl-4-methylsulfanyl-3-propoxycarbonyl-benzoic acid Openeye Name: 2-methyl-4-methylsulfanyl-3-propoxycarbonyl-benzoic acid CAS Name: 2-methyl-4-(methylthio)-3-[oxo(propoxy)methyl]benzoic acid IUPAC Name: 2-methyl-4-methylsulfanyl-3-propoxycarbonylbenzoic acid Traditional Name: 2-methyl-4-(methylthio)-3-propoxycarbonyl-benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1C)C(=O)O)SC

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1C)C(=O)O)SC

InChI

InChI=1S/C13H16O4S/c1-4-7-17-13(16)11-8(2)9(12(14)15)5-6-10(11)18-3/h5-6H,4,7H2,1-3H3,(H,14,15)