4-[(E)-2-[3-oxidanylidene-2-(7-oxidanyl-7-oxidanylidene-heptyl)cyclopentyl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[3-oxidanylidene-2-(7-oxidanyl-7-oxidanylidene-heptyl)cyclopentyl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[2-(7-hydroxy-7-oxo-heptyl)-3-oxo-cyclopentyl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[2-(7-hydroxy-7-oxoheptyl)-3-oxocyclopentyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[2-(7-hydroxy-7-oxoheptyl)-3-oxocyclopentyl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[2-(7-hydroxy-7-keto-heptyl)-3-keto-cyclopentyl]vinyl]benzoic acid Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C=CC2=CC=C(C=C2)C(=O)O)CCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5/c22-19-14-13-16(18(19)5-3-1-2-4-6-20(23)24)10-7-15-8-11-17(12-9-15)21(25)26/h7-12,16,18H,1-6,13-14H2,(H,23,24)(H,25,26)/b10-7+