7-[(1S,2S)-2-(3-oxidanylidene-4-phenoxy-but-1-enyl)cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1S,2S)-2-(3-oxidanylidene-4-phenoxy-but-1-enyl)cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2S)-2-(3-oxo-4-phenoxy-but-1-enyl)cyclopentyl]heptanoic acid CAS Name: 7-[(1S,2S)-2-(3-oxo-4-phenoxybut-1-enyl)cyclopentyl]heptanoic acid IUPAC Name: 7-[(1S,2S)-2-(3-oxo-4-phenoxybut-1-enyl)cyclopentyl]heptanoic acid Traditional Name: 7-[(1S,2S)-2-(3-keto-4-phenoxy-but-1-enyl)cyclopentyl]enanthic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)C=CC(=O)COC2=CC=CC=C2)CCCCCCC(=O)O

Isomeric SMILES

C1C[C@@H]([C@H](C1)C=CC(=O)COC2=CC=CC=C2)CCCCCCC(=O)O

InChI

InChI=1S/C22H30O4/c23-20(17-26-21-12-5-3-6-13-21)16-15-19-11-8-10-18(19)9-4-1-2-7-14-22(24)25/h3,5-6,12-13,15-16,18-19H,1-2,4,7-11,14,17H2,(H,24,25)/t18-,19+/m0/s1