(E)-7-[2-[(E)-4-methyloct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]-2-oxidanyl-hept-5-enoic acid

Systemtic Name: (E)-7-[2-[(E)-4-methyloct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]-2-oxidanyl-hept-5-enoic acid Openeye Name: (E)-2-hydroxy-7-[2-[(E)-4-methyloct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoic acid CAS Name: (E)-2-hydroxy-7-[2-[(E)-4-methyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid IUPAC Name: (E)-2-hydroxy-7-[2-[(E)-4-methyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid Traditional Name: (E)-2-hydroxy-7-[2-keto-5-[(E)-4-methyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4/c1-3-4-9-16(2)10-8-11-17-14-15-19(22)18(17)12-6-5-7-13-20(23)21(24)25/h5-6,8,11,14-18,20,23H,3-4,7,9-10,12-13H2,1-2H3,(H,24,25)/b6-5+,11-8+