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

Systemtic Name: [3-[2-adamantylidene-(3-fluoranyl-3-methyl-butoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate Openeye Name: [3-[2-adamantylidene-(3-fluoro-3-methyl-butoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate CAS Name: phosphoric acid [3-[2-adamantylidene-(3-fluoro-3-methylbutoxy)methyl]phenyl] bis(2-cyanoethyl) ester IUPAC Name: [3-[2-adamantylidene-(3-fluoro-3-methylbutoxy)methyl]phenyl] bis(2-cyanoethyl) phosphate Traditional Name: phosphoric acid [3-[2-adamantylidene-(3-fluoro-3-methyl-butoxy)methyl]phenyl] bis(2-cyanoethyl) ester Formula: C28H36FN2O5P MolecularWeight: 530.568004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36FN2O5P/c1-28(2,29)8-13-33-27(26-23-15-20-14-21(17-23)18-24(26)16-20)22-6-3-7-25(19-22)36-37(32,34-11-4-9-30)35-12-5-10-31/h3,6-7,19-21,23-24H,4-5,8,11-18H2,1-2H3