3,5-dimethyl-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 3,5-dimethyl-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: 3,5-dimethyl-6-thioxo-cyclohexa-1,3-diene-1-carboxylate CAS Name: 3,5-dimethyl-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: 3,5-dimethyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxylate Traditional Name: 3,5-dimethyl-6-thioxo-cyclohexa-1,3-diene-1-carboxylate Formula: C9H9O2S- MolecularWeight: 181.23156

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(C1=S)C(=O)[O-])C

Isomeric SMILES

CC1C=C(C=C(C1=S)C(=O)[O-])C

InChI

InChI=1S/C9H10O2S/c1-5-3-6(2)8(12)7(4-5)9(10)11/h3-4,6H,1-2H3,(H,10,11)/p-1