2-butylcyclohexane-1,4-dicarboxylic acid; 2-hexyl-5-oxidanyl-hexanedioic acid

Systemtic Name: 2-butylcyclohexane-1,4-dicarboxylic acid; 2-hexyl-5-oxidanyl-hexanedioic acid Openeye Name: 2-butylcyclohexane-1,4-dicarboxylic acid; 2-hexyl-5-hydroxy-hexanedioic acid CAS Name: 2-butylcyclohexane-1,4-dicarboxylic acid; 2-hexyl-5-hydroxyhexanedioic acid IUPAC Name: 2-butylcyclohexane-1,4-dicarboxylic acid; 2-hexyl-5-hydroxyhexanedioic acid Traditional Name: 2-butylcyclohexane-1,4-dicarboxylic acid; 2-hexyl-5-hydroxy-adipic acid Formula: C24H42O9 MolecularWeight: 474.58488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC(C(=O)O)O)C(=O)O.CCCCC1CC(CCC1C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(CCC(C(=O)O)O)C(=O)O.CCCCC1CC(CCC1C(=O)O)C(=O)O

InChI

InChI=1S/C12H22O5.C12H20O4/c1-2-3-4-5-6-9(11(14)15)7-8-10(13)12(16)17;1-2-3-4-8-7-9(11(13)14)5-6-10(8)12(15)16/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17);8-10H,2-7H2,1H3,(H,13,14)(H,15,16)