[3-[butoxy(oxidanyl)phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] octa-3,5-diynoate

Systemtic Name: [3-[butoxy(oxidanyl)phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] octa-3,5-diynoate Openeye Name: [3-[butoxy(hydroxy)phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] octa-3,5-diynoate CAS Name: octa-3,5-diynoic acid [3-[butoxy(hydroxy)phosphoryl]oxy-2-(1-oxoocta-3,5-diynoxy)propyl] ester IUPAC Name: [3-[butoxy(hydroxy)phosphoryl]oxy-2-octa-3,5-diynoyloxypropyl] octa-3,5-diynoate Traditional Name: octa-3,5-diynoic acid [3-[butoxy(hydroxy)phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] ester Formula: C23H29O8P MolecularWeight: 464.445321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(O)OCC(COC(=O)CC#CC#CCC)OC(=O)CC#CC#CCC

Isomeric SMILES

CCCCOP(=O)(O)OCC(COC(=O)CC#CC#CCC)OC(=O)CC#CC#CCC

InChI

InChI=1S/C23H29O8P/c1-4-7-10-12-14-16-22(24)28-19-21(20-30-32(26,27)29-18-9-6-3)31-23(25)17-15-13-11-8-5-2/h21H,4-6,9,16-20H2,1-3H3,(H,26,27)