ethyl (E)-7-[2-[(E)-4-ethynyl-4-oxidanyl-dec-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoate

Systemtic Name: ethyl (E)-7-[2-[(E)-4-ethynyl-4-oxidanyl-dec-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoate Openeye Name: ethyl (E)-7-[2-[(E)-4-ethynyl-4-hydroxy-dec-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoate CAS Name: (E)-7-[2-[(E)-4-ethynyl-4-hydroxydec-1-enyl]-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[2-[(E)-4-ethynyl-4-hydroxydec-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate Traditional Name: (E)-7-[2-[(E)-4-hexyl-4-hydroxy-hex-1-en-5-ynyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enoic acid ethyl ester Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CC1C=CC(=O)C1CC=CCCCC(=O)OCC)(C#C)O

Isomeric SMILES

CCCCCCC(C/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)OCC)(C#C)O

InChI

InChI=1S/C26H38O4/c1-4-7-8-13-20-26(29,5-2)21-14-15-22-18-19-24(27)23(22)16-11-9-10-12-17-25(28)30-6-3/h2,9,11,14-15,18-19,22-23,29H,4,6-8,10,12-13,16-17,20-21H2,1,3H3/b11-9+,15-14+