5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)thiophene-2-carboxylic acid

Systemtic Name: 5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)thiophene-2-carboxylic acid Openeye Name: 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)thiophene-2-carboxylic acid CAS Name: 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-2-thiophenecarboxylic acid IUPAC Name: 5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)thiophene-2-carboxylic acid Traditional Name: 5-(1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl)-2-thenoic acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1(C2=CC=C(S2)C(=O)O)O)(C)C

Isomeric SMILES

CC1=CC(=O)CC(C1(C2=CC=C(S2)C(=O)O)O)(C)C

InChI

InChI=1S/C14H16O4S/c1-8-6-9(15)7-13(2,3)14(8,18)11-5-4-10(19-11)12(16)17/h4-6,18H,7H2,1-3H3,(H,16,17)