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

Systemtic Name: [(2S)-2-oxidanyl-2-[(2R)-5-oxidanyl-3-oxidanylidene-4-phosphonooxy-furan-2-yl]ethyl] 2-butylhexanoate Openeye Name: [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-phosphonooxy-2-furyl]ethyl] 2-butylhexanoate CAS Name: 2-butylhexanoic acid [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-phosphonooxy-2-furanyl]ethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-phosphonooxyfuran-2-yl]ethyl] 2-butylhexanoate Traditional Name: 2-butylhexanoic acid [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-keto-4-phosphonooxy-2-furyl]ethyl] ester Formula: C16H27O10P MolecularWeight: 410.353341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(=O)OCC(C1C(=O)C(=C(O1)O)OP(=O)(O)O)O

Isomeric SMILES

CCCCC(CCCC)C(=O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)OP(=O)(O)O)O

InChI

InChI=1S/C16H27O10P/c1-3-5-7-10(8-6-4-2)15(19)24-9-11(17)13-12(18)14(16(20)25-13)26-27(21,22)23/h10-11,13,17,20H,3-9H2,1-2H3,(H2,21,22,23)/t11-,13+/m0/s1