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

Systemtic Name: [2-heptyl-3-[(E)-4-(3-methyl-4-oxidanyl-phenyl)-3-oxidanyl-but-1-enyl]-4-oxidanyl-cyclopenten-1-yl] butanoate Openeye Name: [2-heptyl-4-hydroxy-3-[(E)-3-hydroxy-4-(4-hydroxy-3-methyl-phenyl)but-1-enyl]cyclopenten-1-yl] butanoate CAS Name: butanoic acid [2-heptyl-4-hydroxy-3-[(E)-3-hydroxy-4-(4-hydroxy-3-methylphenyl)but-1-enyl]-1-cyclopentenyl] ester IUPAC Name: [2-heptyl-4-hydroxy-3-[(E)-3-hydroxy-4-(4-hydroxy-3-methylphenyl)but-1-enyl]cyclopenten-1-yl] butanoate Traditional Name: butyric acid [2-heptyl-4-hydroxy-3-[(E)-3-hydroxy-4-(4-hydroxy-3-methyl-phenyl)but-1-enyl]cyclopenten-1-yl] ester Formula: C27H40O5 MolecularWeight: 444.6035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O5/c1-4-6-7-8-9-11-23-22(25(30)18-26(23)32-27(31)10-5-2)14-13-21(28)17-20-12-15-24(29)19(3)16-20/h12-16,21-22,25,28-30H,4-11,17-18H2,1-3H3/b14-13+