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

Systemtic Name: (E)-7-[2-[(E)-3-methyloct-1-enyl]-5-oxidanyl-3-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[5-hydroxy-2-[(E)-3-methyloct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[5-hydroxy-2-[(E)-3-methyloct-1-enyl]-3-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-hydroxy-2-[(E)-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[5-hydroxy-3-keto-2-[(E)-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O

Isomeric SMILES

CCCCCC(C)/C=C/C1C(C(CC1=O)O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C21H34O4/c1-3-4-7-10-16(2)13-14-18-17(19(22)15-20(18)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,16-19,22H,3-4,6-7,9-12,15H2,1-2H3,(H,24,25)/b8-5+,14-13+