(E)-7-[2-[(E)-5-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[(E)-5-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[3-hydroxy-2-[(E)-4-hydroxy-5-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[3-hydroxy-2-[(E)-4-hydroxy-5-methyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-hydroxy-2-[(E)-4-hydroxy-5-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[3-hydroxy-2-[(E)-4-hydroxy-5-methyl-oct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O5/c1-3-9-15(2)18(22)12-8-11-17-16(19(23)14-20(17)24)10-6-4-5-7-13-21(25)26/h4,6,8,11,15-18,20,22,24H,3,5,7,9-10,12-14H2,1-2H3,(H,25,26)/b6-4+,11-8+