ethyl 7-[2-oxidanylidene-5-(3-oxidanyloct-4-ynyl)cyclopentyl]-2-phenyl-heptanoate

Systemtic Name: ethyl 7-[2-oxidanylidene-5-(3-oxidanyloct-4-ynyl)cyclopentyl]-2-phenyl-heptanoate Openeye Name: ethyl 7-[2-(3-hydroxyoct-4-ynyl)-5-oxo-cyclopentyl]-2-phenyl-heptanoate CAS Name: 7-[2-(3-hydroxyoct-4-ynyl)-5-oxocyclopentyl]-2-phenylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(3-hydroxyoct-4-ynyl)-5-oxocyclopentyl]-2-phenylheptanoate Traditional Name: 7-[2-(3-hydroxyoct-4-ynyl)-5-keto-cyclopentyl]-2-phenyl-enanthic acid ethyl ester Formula: C28H40O4 MolecularWeight: 440.6148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(CCC1CCC(=O)C1CCCCCC(C2=CC=CC=C2)C(=O)OCC)O

Isomeric SMILES

CCCC#CC(CCC1CCC(=O)C1CCCCCC(C2=CC=CC=C2)C(=O)OCC)O

InChI

InChI=1S/C28H40O4/c1-3-5-8-15-24(29)20-18-23-19-21-27(30)25(23)16-11-7-12-17-26(28(31)32-4-2)22-13-9-6-10-14-22/h6,9-10,13-14,23-26,29H,3-5,7,11-12,16-21H2,1-2H3