methyl (E)-7-[3-oxidanyl-2-[(E)-3-oxidanyloct-1-enyl]-5-phenoxy-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3-oxidanyl-2-[(E)-3-oxidanyloct-1-enyl]-5-phenoxy-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-phenoxy-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-phenoxycyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-phenoxycyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-phenoxy-cyclopentyl]hept-5-enoic acid methyl ester Formula: C27H40O5 MolecularWeight: 444.6035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)OC)OC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(C1C/C=C/CCCC(=O)OC)OC2=CC=CC=C2)O)O

InChI

InChI=1S/C27H40O5/c1-3-4-8-13-21(28)18-19-23-24(16-11-5-6-12-17-27(30)31-2)26(20-25(23)29)32-22-14-9-7-10-15-22/h5,7,9-11,14-15,18-19,21,23-26,28-29H,3-4,6,8,12-13,16-17,20H2,1-2H3/b11-5+,19-18+