9-[2-(carboxymethyl)-5-ethyl-6-[(E)-hept-1-enyl]cyclohex-3-en-1-yl]nonanoic acid

Systemtic Name: 9-[2-(carboxymethyl)-5-ethyl-6-[(E)-hept-1-enyl]cyclohex-3-en-1-yl]nonanoic acid Openeye Name: 9-[2-(carboxymethyl)-5-ethyl-6-[(E)-hept-1-enyl]cyclohex-3-en-1-yl]nonanoic acid CAS Name: 9-[2-(carboxymethyl)-5-ethyl-6-[(E)-hept-1-enyl]-1-cyclohex-3-enyl]nonanoic acid IUPAC Name: 9-[2-(carboxymethyl)-5-ethyl-6-[(E)-hept-1-enyl]cyclohex-3-en-1-yl]nonanoic acid Traditional Name: 9-[2-(carboxymethyl)-5-ethyl-6-[(E)-hept-1-enyl]cyclohex-3-en-1-yl]pelargonic acid Formula: C26H44O4 MolecularWeight: 420.62516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC1C(C=CC(C1CCCCCCCCC(=O)O)CC(=O)O)CC

Isomeric SMILES

CCCCC/C=C/C1C(C=CC(C1CCCCCCCCC(=O)O)CC(=O)O)CC

InChI

InChI=1S/C26H44O4/c1-3-5-6-9-12-15-23-21(4-2)18-19-22(20-26(29)30)24(23)16-13-10-7-8-11-14-17-25(27)28/h12,15,18-19,21-24H,3-11,13-14,16-17,20H2,1-2H3,(H,27,28)(H,29,30)/b15-12+