(E)-7-[2-[(E)-4-ethynyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[(E)-4-ethynyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-4-ethynyl-4-hydroxy-oct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-4-ethynyl-4-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-4-ethynyl-4-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-4-butyl-4-hydroxy-hex-1-en-5-ynyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enoic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(C/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)O)(C#C)O

InChI

InChI=1S/C22H30O4/c1-3-5-16-22(26,4-2)17-10-11-18-14-15-20(23)19(18)12-8-6-7-9-13-21(24)25/h2,6,8,10-11,14-15,18-19,26H,3,5,7,9,12-13,16-17H2,1H3,(H,24,25)/b8-6+,11-10+