7-[2-[(E)-3-methyloct-1-enyl]-5-oxidanylidene-cyclopentyl]-2,2-bis(oxidanyl)heptanoic acid

Systemtic Name: 7-[2-[(E)-3-methyloct-1-enyl]-5-oxidanylidene-cyclopentyl]-2,2-bis(oxidanyl)heptanoic acid Openeye Name: 2,2-dihydroxy-7-[2-[(E)-3-methyloct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 2,2-dihydroxy-7-[2-[(E)-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 2,2-dihydroxy-7-[2-[(E)-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 2,2-dihydroxy-7-[2-keto-5-[(E)-3-methyloct-1-enyl]cyclopentyl]enanthic acid Formula: C21H36O5 MolecularWeight: 368.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C=CC1CCC(=O)C1CCCCCC(C(=O)O)(O)O

Isomeric SMILES

CCCCCC(C)/C=C/C1CCC(=O)C1CCCCCC(C(=O)O)(O)O

InChI

InChI=1S/C21H36O5/c1-3-4-6-9-16(2)11-12-17-13-14-19(22)18(17)10-7-5-8-15-21(25,26)20(23)24/h11-12,16-18,25-26H,3-10,13-15H2,1-2H3,(H,23,24)/b12-11+