1-heptyl-3-(2-methylpentan-2-yl)cyclohex-4-ene-1,3-dicarboxylic acid

Systemtic Name: 1-heptyl-3-(2-methylpentan-2-yl)cyclohex-4-ene-1,3-dicarboxylic acid Openeye Name: 3-(1,1-dimethylbutyl)-1-heptyl-cyclohex-4-ene-1,3-dicarboxylic acid CAS Name: 1-heptyl-3-(2-methylpentan-2-yl)cyclohex-4-ene-1,3-dicarboxylic acid IUPAC Name: 1-heptyl-3-(2-methylpentan-2-yl)cyclohex-4-ene-1,3-dicarboxylic acid Traditional Name: 3-(1,1-dimethylbutyl)-1-heptyl-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)(C(=O)O)C(C)(C)CCC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4/c1-5-7-8-9-10-13-20(17(22)23)14-11-15-21(16-20,18(24)25)19(3,4)12-6-2/h11,15H,5-10,12-14,16H2,1-4H3,(H,22,23)(H,24,25)