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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCC=CC(=O)O)O)O

Isomeric SMILES

CCCCC(C)(C/C=C/C1C(CC(=O)C1CCCC/C=C/C(=O)O)O)O

InChI

InChI=1S/C21H34O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h8-9,11-12,16-17,19,23,26H,3-7,10,13-15H2,1-2H3,(H,24,25)/b11-9+,12-8+