5-cyclohex-2-en-1-yl-3-hexyl-2-propyl-hexanedioic acid

Systemtic Name: 5-cyclohex-2-en-1-yl-3-hexyl-2-propyl-hexanedioic acid Openeye Name: 5-cyclohex-2-en-1-yl-3-hexyl-2-propyl-hexanedioic acid CAS Name: 5-(1-cyclohex-2-enyl)-3-hexyl-2-propylhexanedioic acid IUPAC Name: 5-cyclohex-2-en-1-yl-3-hexyl-2-propylhexanedioic acid Traditional Name: 5-cyclohex-2-en-1-yl-3-hexyl-2-propyl-adipic acid Formula: C21H36O4 MolecularWeight: 352.50814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4/c1-3-5-6-8-14-17(18(11-4-2)20(22)23)15-19(21(24)25)16-12-9-7-10-13-16/h9,12,16-19H,3-8,10-11,13-15H2,1-2H3,(H,22,23)(H,24,25)