2-(3-oxidanylidene-5-phosphonooxy-non-1-en-5-yl)oxyhexan-2-yl phosphate

Systemtic Name: 2-(3-oxidanylidene-5-phosphonooxy-non-1-en-5-yl)oxyhexan-2-yl phosphate Openeye Name: [1-(1-butyl-3-oxo-1-phosphonooxy-pent-4-enoxy)-1-methyl-pentyl] phosphate CAS Name: 2-(3-oxo-5-phosphonooxynon-1-en-5-yl)oxyhexan-2-yl phosphate IUPAC Name: 2-(3-oxo-5-phosphonooxynon-1-en-5-yl)oxyhexan-2-yl phosphate Traditional Name: [1-(1-butyl-3-keto-1-phosphonooxy-pent-4-enoxy)-1-methyl-pentyl] phosphate Formula: C15H28O10P2-2 MolecularWeight: 430.324342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(OC(CCCC)(CC(=O)C=C)OP(=O)(O)O)OP(=O)([O-])[O-]

Isomeric SMILES

CCCCC(C)(OC(CCCC)(CC(=O)C=C)OP(=O)(O)O)OP(=O)([O-])[O-]

InChI

InChI=1S/C15H30O10P2/c1-5-8-10-14(4,24-26(17,18)19)23-15(11-9-6-2,12-13(16)7-3)25-27(20,21)22/h7H,3,5-6,8-12H2,1-2,4H3,(H2,17,18,19)(H2,20,21,22)/p-2