5-methoxycarbonyl-1-methyl-4-methylsulfanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-1-methyl-4-methylsulfanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 5-methoxycarbonyl-1-methyl-4-methylsulfanyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 5-methoxycarbonyl-1-methyl-4-(methylthio)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 5-methoxycarbonyl-1-methyl-4-methylsulfanylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 5-carbomethoxy-1-methyl-4-(methylthio)cyclohexa-2,4-diene-1-carboxylic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C=C1)SC)C(=O)OC)C(=O)O

Isomeric SMILES

CC1(CC(=C(C=C1)SC)C(=O)OC)C(=O)O

InChI

InChI=1S/C11H14O4S/c1-11(10(13)14)5-4-8(16-3)7(6-11)9(12)15-2/h4-5H,6H2,1-3H3,(H,13,14)