[(1R,2R,3S,4R,5R,6S)-2,4-bis[bis(2-cyanoethoxy)phosphoryloxy]-3,5-bis(phenylmethoxy)-6-prop-2-enoxy-cyclohexyl] bis(2-cyanoethyl) phosphate

Systemtic Name: [(1R,2R,3S,4R,5R,6S)-2,4-bis[bis(2-cyanoethoxy)phosphoryloxy]-3,5-bis(phenylmethoxy)-6-prop-2-enoxy-cyclohexyl] bis(2-cyanoethyl) phosphate Openeye Name: [(1R,2S,3R,4R,5S,6R)-2-allyloxy-3,5-dibenzyloxy-4,6-bis[bis(2-cyanoethoxy)phosphoryloxy]cyclohexyl] bis(2-cyanoethyl) phosphate CAS Name: phosphoric acid [(1R,2R,3S,4R,5R,6S)-2,4-bis[bis(2-cyanoethoxy)phosphoryloxy]-3,5-bis(phenylmethoxy)-6-prop-2-enoxycyclohexyl] bis(2-cyanoethyl) ester IUPAC Name: [(1R,2R,3S,4R,5R,6S)-2,4-bis[bis(2-cyanoethoxy)phosphoryloxy]-3,5-bis(phenylmethoxy)-6-prop-2-enoxycyclohexyl] bis(2-cyanoethyl) phosphate Traditional Name: phosphoric acid [(1R,2S,3R,4R,5S,6R)-2-allyloxy-3,5-dibenzoxy-4,6-bis[bis(2-cyanoethoxy)phosphoryloxy]cyclohexyl] bis(2-cyanoethyl) ester Formula: C41H49N6O15P3 MolecularWeight: 958.780243

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(C(C(C(C1OP(=O)(OCCC#N)OCCC#N)OP(=O)(OCCC#N)OCCC#N)OCC2=CC=CC=C2)OP(=O)(OCCC#N)OCCC#N)OCC3=CC=CC=C3

Isomeric SMILES

C=CCO[C@H]1[C@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(OCCC#N)OCCC#N)OP(=O)(OCCC#N)OCCC#N)OCC2=CC=CC=C2)OP(=O)(OCCC#N)OCCC#N)OCC3=CC=CC=C3

InChI

InChI=1S/C41H49N6O15P3/c1-2-25-51-36-37(52-32-34-15-5-3-6-16-34)39(60-63(48,54-26-9-19-42)55-27-10-20-43)38(53-33-35-17-7-4-8-18-35)41(62-65(50,58-30-13-23-46)59-31-14-24-47)40(36)61-64(49,56-28-11-21-44)57-29-12-22-45/h2-8,15-18,36-41H,1,9-14,25-33H2/t36-,37+,38-,39+,40+,41+/m0/s1