3-hexyl-6-(1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 3-hexyl-6-(1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 3-hexyl-6-(2-hydroxy-1-methyl-2-oxo-ethyl)cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 3-hexyl-6-(1-hydroxy-1-oxopropan-2-yl)cyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 3-hexyl-6-(1-hydroxy-1-oxopropan-2-yl)cyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 3-hexyl-6-(2-hydroxy-2-keto-1-methyl-ethyl)cyclohex-4-ene-1,2-dicarboxylic acid Formula: C17H26O6 MolecularWeight: 326.38474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(C(C1C(=O)O)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CCCCCCC1C=CC(C(C1C(=O)O)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C17H26O6/c1-3-4-5-6-7-11-8-9-12(10(2)15(18)19)14(17(22)23)13(11)16(20)21/h8-14H,3-7H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)