8-[3-(4-carboxyhexyl)cyclohex-3-en-1-yl]octanoic acid

Systemtic Name: 8-[3-(4-carboxyhexyl)cyclohex-3-en-1-yl]octanoic acid Openeye Name: 8-[3-(4-carboxyhexyl)cyclohex-3-en-1-yl]octanoic acid CAS Name: 8-[3-(4-carboxyhexyl)-1-cyclohex-3-enyl]octanoic acid IUPAC Name: 8-[3-(4-carboxyhexyl)cyclohex-3-en-1-yl]octanoic acid Traditional Name: 8-[3-(4-carboxyhexyl)cyclohex-3-en-1-yl]caprylic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC1=CCCC(C1)CCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCC(CCCC1=CCCC(C1)CCCCCCCC(=O)O)C(=O)O

InChI

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