6-chloranyl-5-ethylsulfinyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-chloranyl-5-ethylsulfinyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-chloro-5-ethylsulfinyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-chloro-5-ethylsulfinyl-6-methyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-chloro-5-ethylsulfinyl-6-methylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-chloro-5-ethylsulfinyl-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C10H13ClO3S MolecularWeight: 248.72642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC(C1(C)Cl)C(=O)O

Isomeric SMILES

CCS(=O)C1=CC=CC(C1(C)Cl)C(=O)O

InChI

InChI=1S/C10H13ClO3S/c1-3-15(14)8-6-4-5-7(9(12)13)10(8,2)11/h4-7H,3H2,1-2H3,(H,12,13)