4-methyl-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 4-methyl-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 4-methyl-3-thioxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 4-methyl-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 4-methyl-3-sulfanylidenecyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 4-methyl-3-thioxo-cyclohexa-1,5-diene-1-carboxylic acid Formula: C8H8O2S MolecularWeight: 168.21292

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=CC1=S)C(=O)O

Isomeric SMILES

CC1C=CC(=CC1=S)C(=O)O

InChI

InChI=1S/C8H8O2S/c1-5-2-3-6(8(9)10)4-7(5)11/h2-5H,1H3,(H,9,10)