2-methylbenzoic acid; 2-methyl-3-sulfanylidene-propanoic acid

Systemtic Name: 2-methylbenzoic acid; 2-methyl-3-sulfanylidene-propanoic acid Openeye Name: 2-methylbenzoic acid; 2-methyl-3-thioxo-propanoic acid CAS Name: 2-methylbenzoic acid; 2-methyl-3-sulfanylidenepropanoic acid IUPAC Name: 2-methylbenzoic acid; 2-methyl-3-sulfanylidenepropanoic acid Traditional Name: 2-methyl-3-thioxo-propionic acid; o-toluic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)O.CC(C=S)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)O.CC(C=S)C(=O)O

InChI

InChI=1S/C8H8O2.C4H6O2S/c1-6-4-2-3-5-7(6)8(9)10;1-3(2-7)4(5)6/h2-5H,1H3,(H,9,10);2-3H,1H3,(H,5,6)