6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-(2-methoxy-2-oxo-ethyl)sulfanyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[(2-methoxy-2-oxoethyl)thio]-6-methyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-(2-methoxy-2-oxoethyl)sulfanyl-6-methylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-[(2-keto-2-methoxy-ethyl)thio]-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=CC1C(=O)O)SCC(=O)OC

Isomeric SMILES

CC1(C=CC=CC1C(=O)O)SCC(=O)OC

InChI

InChI=1S/C11H14O4S/c1-11(16-7-9(12)15-2)6-4-3-5-8(11)10(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)