[3-[2-adamantylidene(3,3-dimethylbutoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate

Systemtic Name: [3-[2-adamantylidene(3,3-dimethylbutoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate Openeye Name: [3-[2-adamantylidene(3,3-dimethylbutoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate CAS Name: phosphoric acid [3-[2-adamantylidene(3,3-dimethylbutoxy)methyl]phenyl] bis(2-cyanoethyl) ester IUPAC Name: [3-[2-adamantylidene(3,3-dimethylbutoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate Traditional Name: phosphoric acid [3-[2-adamantylidene(3,3-dimethylbutoxy)methyl]phenyl] bis(2-cyanoethyl) ester Formula: C29H39N2O5P MolecularWeight: 526.604121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC=C4)OP(=O)(OCCC#N)OCCC#N

Isomeric SMILES

CC(C)(C)CCOC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC=C4)OP(=O)(OCCC#N)OCCC#N

InChI

InChI=1S/C29H39N2O5P/c1-29(2,3)9-14-33-28(27-24-16-21-15-22(18-24)19-25(27)17-21)23-7-4-8-26(20-23)36-37(32,34-12-5-10-30)35-13-6-11-31/h4,7-8,20-22,24-25H,5-6,9,12-19H2,1-3H3