1-methoxy-4-methyl-benzene; 2-methylsulfanyl-3-sulfanyl-propanoic acid

Systemtic Name: 1-methoxy-4-methyl-benzene; 2-methylsulfanyl-3-sulfanyl-propanoic acid Openeye Name: 1-methoxy-4-methyl-benzene; 2-methylsulfanyl-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(methylthio)propanoic acid; 1-methoxy-4-methylbenzene IUPAC Name: 1-methoxy-4-methylbenzene; 2-methylsulfanyl-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(methylthio)propionic acid; 1-methoxy-4-methyl-benzene Formula: C12H18O3S2 MolecularWeight: 274.39952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC.CSC(CS)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC.CSC(CS)C(=O)O

InChI

InChI=1S/C8H10O.C4H8O2S2/c1-7-3-5-8(9-2)6-4-7;1-8-3(2-7)4(5)6/h3-6H,1-2H3;3,7H,2H2,1H3,(H,5,6)