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

Systemtic Name: [3-[butoxy(oxidanyl)phosphoryl]oxy-2-hepta-3,5-diynoyloxy-propyl] hepta-3,5-diynoate Openeye Name: [3-[butoxy(hydroxy)phosphoryl]oxy-2-hepta-3,5-diynoyloxy-propyl] hepta-3,5-diynoate CAS Name: hepta-3,5-diynoic acid [3-[butoxy(hydroxy)phosphoryl]oxy-2-(1-oxohepta-3,5-diynoxy)propyl] ester IUPAC Name: [3-[butoxy(hydroxy)phosphoryl]oxy-2-hepta-3,5-diynoyloxypropyl] hepta-3,5-diynoate Traditional Name: hepta-3,5-diynoic acid [3-[butoxy(hydroxy)phosphoryl]oxy-2-hepta-3,5-diynoyloxy-propyl] ester Formula: C21H25O8P MolecularWeight: 436.392161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25O8P/c1-4-7-10-12-14-20(22)26-17-19(29-21(23)15-13-11-8-5-2)18-28-30(24,25)27-16-9-6-3/h19H,6,9,14-18H2,1-3H3,(H,24,25)