methyl 7-[2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-3-phosphonooxy-cyclopentyl]heptanoate

Systemtic Name: methyl 7-[2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-3-phosphonooxy-cyclopentyl]heptanoate Openeye Name: methyl 7-[2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-3-phosphonooxy-cyclopentyl]heptanoate CAS Name: 7-[2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxo-3-phosphonooxycyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxo-3-phosphonooxycyclopentyl]heptanoate Traditional Name: 7-[2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-3-phosphonooxy-cyclopentyl]enanthic acid methyl ester Formula: C22H39O8P MolecularWeight: 462.514021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)OP(=O)(O)O)O

Isomeric SMILES

CCCCC(C)(C/C=C/C1C(CC(=O)C1CCCCCCC(=O)OC)OP(=O)(O)O)O

InChI

InChI=1S/C22H39O8P/c1-4-5-14-22(2,25)15-10-12-18-17(11-8-6-7-9-13-21(24)29-3)19(23)16-20(18)30-31(26,27)28/h10,12,17-18,20,25H,4-9,11,13-16H2,1-3H3,(H2,26,27,28)/b12-10+