1-methyl-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene

Systemtic Name: 1-methyl-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene Openeye Name: 1-methyl-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene CAS Name: 1-methyl-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene IUPAC Name: 1-methyl-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene Traditional Name: 1-methyl-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene Formula: C24H41O9P3 MolecularWeight: 566.498223

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(CC#CC1=CC=C(C=C1)C)(P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(CC(CC#CC1=CC=C(C=C1)C)(P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C24H41O9P3/c1-8-28-34(25,29-9-2)21-24(35(26,30-10-3)31-11-4,36(27,32-12-5)33-13-6)20-14-15-23-18-16-22(7)17-19-23/h16-19H,8-13,20-21H2,1-7H3