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

Systemtic Name: 1-nitro-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene Openeye Name: 1-nitro-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene CAS Name: 1-nitro-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene IUPAC Name: 1-nitro-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene Traditional Name: 1-nitro-4-[4,4,5-tris(diethoxyphosphoryl)pent-1-ynyl]benzene Formula: C23H38NO11P3 MolecularWeight: 597.469203

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(CC#CC1=CC=C(C=C1)[N+](=O)[O-])(P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(CC(CC#CC1=CC=C(C=C1)[N+](=O)[O-])(P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C23H38NO11P3/c1-7-30-36(27,31-8-2)20-23(37(28,32-9-3)33-10-4,38(29,34-11-5)35-12-6)19-13-14-21-15-17-22(18-16-21)24(25)26/h15-18H,7-12,19-20H2,1-6H3