[(2S)-2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4-phosphonooxy-furan-2-yl)ethyl] 14-methylpentadecanoate

Systemtic Name: [(2S)-2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4-phosphonooxy-furan-2-yl)ethyl] 14-methylpentadecanoate Openeye Name: [(2S)-2-hydroxy-2-(5-hydroxy-3-oxo-4-phosphonooxy-2-furyl)ethyl] 14-methylpentadecanoate CAS Name: 14-methylpentadecanoic acid [(2S)-2-hydroxy-2-(5-hydroxy-3-oxo-4-phosphonooxy-2-furanyl)ethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-(5-hydroxy-3-oxo-4-phosphonooxyfuran-2-yl)ethyl] 14-methylpentadecanoate Traditional Name: 14-methylpentadecanoic acid [(2S)-2-hydroxy-2-(5-hydroxy-3-keto-4-phosphonooxy-2-furyl)ethyl] ester Formula: C22H39O10P MolecularWeight: 494.512821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OP(=O)(O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCC(=O)OC[C@@H](C1C(=O)C(=C(O1)O)OP(=O)(O)O)O

InChI

InChI=1S/C22H39O10P/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(24)30-15-17(23)20-19(25)21(22(26)31-20)32-33(27,28)29/h16-17,20,23,26H,3-15H2,1-2H3,(H2,27,28,29)/t17-,20?/m0/s1