(7E)-7-[3-chloranyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-ylidene]hept-5-ynoic acid

Systemtic Name: (7E)-7-[3-chloranyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-ylidene]hept-5-ynoic acid Openeye Name: (7E)-7-[3-chloro-5-[(E)-3-hydroxyoct-1-enyl]-2-oxo-cyclopent-3-en-1-ylidene]hept-5-ynoic acid CAS Name: (7E)-7-[3-chloro-5-[(E)-3-hydroxyoct-1-enyl]-2-oxo-1-cyclopent-3-enylidene]-5-heptynoic acid IUPAC Name: (7E)-7-[3-chloro-5-[(E)-3-hydroxyoct-1-enyl]-2-oxocyclopent-3-en-1-ylidene]hept-5-ynoic acid Traditional Name: (7E)-7-[3-chloro-5-[(E)-3-hydroxyoct-1-enyl]-2-keto-cyclopent-3-en-1-ylidene]hept-5-ynoic acid Formula: C20H25ClO4 MolecularWeight: 364.8631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C=C(C(=O)C1=CC#CCCCC(=O)O)Cl)O

Isomeric SMILES

CCCCCC(/C=C/C\1C=C(C(=O)/C1=C/C#CCCCC(=O)O)Cl)O

InChI

InChI=1S/C20H25ClO4/c1-2-3-6-9-16(22)13-12-15-14-18(21)20(25)17(15)10-7-4-5-8-11-19(23)24/h10,12-16,22H,2-3,5-6,8-9,11H2,1H3,(H,23,24)/b13-12+,17-10+