[2-heptyl-3-[(E)-4-[3-(methoxymethyl)phenyl]-3-oxidanyl-but-1-enyl]-4-oxidanyl-cyclopenten-1-yl] butanoate

Systemtic Name: [2-heptyl-3-[(E)-4-[3-(methoxymethyl)phenyl]-3-oxidanyl-but-1-enyl]-4-oxidanyl-cyclopenten-1-yl] butanoate Openeye Name: [2-heptyl-4-hydroxy-3-[(E)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]cyclopenten-1-yl] butanoate CAS Name: butanoic acid [2-heptyl-4-hydroxy-3-[(E)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-1-cyclopentenyl] ester IUPAC Name: [2-heptyl-4-hydroxy-3-[(E)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]cyclopenten-1-yl] butanoate Traditional Name: butyric acid [2-heptyl-4-hydroxy-3-[(E)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]cyclopenten-1-yl] ester Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(CC(C1C=CC(CC2=CC(=CC=C2)COC)O)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCC1=C(CC(C1/C=C/C(CC2=CC(=CC=C2)COC)O)O)OC(=O)CCC

InChI

InChI=1S/C28H42O5/c1-4-6-7-8-9-14-25-24(26(30)19-27(25)33-28(31)11-5-2)16-15-23(29)18-21-12-10-13-22(17-21)20-32-3/h10,12-13,15-17,23-24,26,29-30H,4-9,11,14,18-20H2,1-3H3/b16-15+