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

Systemtic Name: [3-[2-adamantylidene(butoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate Openeye Name: [3-[2-adamantylidene(butoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate CAS Name: phosphoric acid [3-[2-adamantylidene(butoxy)methyl]phenyl] bis(2-cyanoethyl) ester IUPAC Name: [3-[2-adamantylidene(butoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate Traditional Name: phosphoric acid [3-[2-adamantylidene(butoxy)methyl]phenyl] bis(2-cyanoethyl) ester Formula: C27H35N2O5P MolecularWeight: 498.550961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N2O5P/c1-2-3-11-31-27(26-23-15-20-14-21(17-23)18-24(26)16-20)22-7-4-8-25(19-22)34-35(30,32-12-5-9-28)33-13-6-10-29/h4,7-8,19-21,23-24H,2-3,5-6,11-18H2,1H3