2-(3-oxidanylidene-5-phosphonooxy-tridec-1-en-5-yl)oxydecan-2-yl phosphate

Systemtic Name: 2-(3-oxidanylidene-5-phosphonooxy-tridec-1-en-5-yl)oxydecan-2-yl phosphate Openeye Name: [1-methyl-1-[1-(2-oxobut-3-enyl)-1-phosphonooxy-nonoxy]nonyl] phosphate CAS Name: 2-(3-oxo-5-phosphonooxytridec-1-en-5-yl)oxydecan-2-yl phosphate IUPAC Name: 2-(3-oxo-5-phosphonooxytridec-1-en-5-yl)oxydecan-2-yl phosphate Traditional Name: [1-(3-keto-1-octyl-1-phosphonooxy-pent-4-enoxy)-1-methyl-nonyl] phosphate Formula: C23H44O10P2-2 MolecularWeight: 542.536982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(OC(CCCCCCCC)(CC(=O)C=C)OP(=O)(O)O)OP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCC(C)(OC(CCCCCCCC)(CC(=O)C=C)OP(=O)(O)O)OP(=O)([O-])[O-]

InChI

InChI=1S/C23H46O10P2/c1-5-8-10-12-14-16-18-22(4,32-34(25,26)27)31-23(20-21(24)7-3,33-35(28,29)30)19-17-15-13-11-9-6-2/h7H,3,5-6,8-20H2,1-2,4H3,(H2,25,26,27)(H2,28,29,30)/p-2