2-(2-butyloctyl)-2-cyclohex-2-en-1-yl-propanedioic acid

Systemtic Name: 2-(2-butyloctyl)-2-cyclohex-2-en-1-yl-propanedioic acid Openeye Name: 2-(2-butyloctyl)-2-cyclohex-2-en-1-yl-propanedioic acid CAS Name: 2-(2-butyloctyl)-2-(1-cyclohex-2-enyl)propanedioic acid IUPAC Name: 2-(2-butyloctyl)-2-cyclohex-2-en-1-ylpropanedioic acid Traditional Name: 2-(2-butyloctyl)-2-cyclohex-2-en-1-yl-malonic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CC(C1CCCC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(CCCC)CC(C1CCCC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H36O4/c1-3-5-7-9-13-17(12-6-4-2)16-21(19(22)23,20(24)25)18-14-10-8-11-15-18/h10,14,17-18H,3-9,11-13,15-16H2,1-2H3,(H,22,23)(H,24,25)