[(9S,20S)-20-[bis[(4-chlorophenyl)methoxy]phosphoryloxymethyl]-8,11,18,21-tetrakis(oxidanylidene)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicos-9-yl]methyl bis[(4-chlorophenyl)methyl] phosphate

Systemtic Name: [(9S,20S)-20-[bis[(4-chlorophenyl)methoxy]phosphoryloxymethyl]-8,11,18,21-tetrakis(oxidanylidene)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicos-9-yl]methyl bis[(4-chlorophenyl)methyl] phosphate Openeye Name: [(9S,20S)-20-[bis[(4-chlorophenyl)methoxy]phosphoryloxymethyl]-8,11,18,21-tetraoxo-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicos-9-yl]methyl bis[(4-chlorophenyl)methyl] phosphate CAS Name: phosphoric acid [(9S,20S)-20-[bis[(4-chlorophenyl)methoxy]phosphoryloxymethyl]-8,11,18,21-tetraoxo-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicos-9-yl]methyl bis[(4-chlorophenyl)methyl] ester IUPAC Name: [(9S,20S)-20-[bis[(4-chlorophenyl)methoxy]phosphoryloxymethyl]-8,11,18,21-tetraoxo-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicos-9-yl]methyl bis[(4-chlorophenyl)methyl] phosphate Traditional Name: phosphoric acid [(9S,20S)-20-[bis[(4-chlorobenzyl)oxy]phosphoryloxymethyl]-8,11,18,21-tetraketo-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicos-9-yl]methyl bis(4-chlorobenzyl) ester Formula: C44H48Cl4N2O17P2 MolecularWeight: 1080.614642

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C(NC(=O)COCCOCC(=O)NC(C(=O)OCCO1)COP(=O)(OCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl)COP(=O)(OCC4=CC=C(C=C4)Cl)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1COC(=O)[C@@H](NC(=O)COCCOCC(=O)N[C@H](C(=O)OCCO1)COP(=O)(OCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl)COP(=O)(OCC4=CC=C(C=C4)Cl)OCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C44H48Cl4N2O17P2/c45-35-9-1-31(2-10-35)23-62-68(55,63-24-32-3-11-36(46)12-4-32)66-27-39-43(53)60-21-19-57-20-22-61-44(54)40(50-42(52)30-59-18-17-58-29-41(51)49-39)28-67-69(56,64-25-33-5-13-37(47)14-6-33)65-26-34-7-15-38(48)16-8-34/h1-16,39-40H,17-30H2,(H,49,51)(H,50,52)/t39-,40-/m0/s1