3-heptyl-1-hexyl-cyclohex-4-ene-1,3-dicarboxylic acid

Systemtic Name: 3-heptyl-1-hexyl-cyclohex-4-ene-1,3-dicarboxylic acid Openeye Name: 3-heptyl-1-hexyl-cyclohex-4-ene-1,3-dicarboxylic acid CAS Name: 3-heptyl-1-hexylcyclohex-4-ene-1,3-dicarboxylic acid IUPAC Name: 3-heptyl-1-hexylcyclohex-4-ene-1,3-dicarboxylic acid Traditional Name: 3-heptyl-1-hexyl-cyclohex-4-ene-1,3-dicarboxylic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CC(CC=C1)(CCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC1(CC(CC=C1)(CCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C21H36O4/c1-3-5-7-9-11-14-21(19(24)25)16-12-15-20(17-21,18(22)23)13-10-8-6-4-2/h12,16H,3-11,13-15,17H2,1-2H3,(H,22,23)(H,24,25)