(E)-3-(3-methoxy-4-octanoyloxy-phenyl)hept-2-enoic acid

Systemtic Name: (E)-3-(3-methoxy-4-octanoyloxy-phenyl)hept-2-enoic acid Openeye Name: (E)-3-(3-methoxy-4-octanoyloxy-phenyl)hept-2-enoic acid CAS Name: (E)-3-[3-methoxy-4-(1-oxooctoxy)phenyl]-2-heptenoic acid IUPAC Name: (E)-3-(3-methoxy-4-octanoyloxyphenyl)hept-2-enoic acid Traditional Name: (E)-3-(4-caprylyloxy-3-methoxy-phenyl)hept-2-enoic acid Formula: C22H32O5 MolecularWeight: 376.48648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1)C(=CC(=O)O)CCCC)OC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1)/C(=C/C(=O)O)/CCCC)OC

InChI

InChI=1S/C22H32O5/c1-4-6-8-9-10-12-22(25)27-19-14-13-18(15-20(19)26-3)17(11-7-5-2)16-21(23)24/h13-16H,4-12H2,1-3H3,(H,23,24)/b17-16+