O1-(1-adamantylmethyl) O3-(phenylmethyl) 2-(triphenyl-$l^{5}-phosphanylidene)propanedioate

Systemtic Name: O1-(1-adamantylmethyl) O3-(phenylmethyl) 2-(triphenyl-$l^{5}-phosphanylidene)propanedioate Openeye Name: O1-(1-adamantylmethyl) O3-benzyl 2-(triphenyl-$l^{5}-phosphanylidene)propanedioate CAS Name: 2-triphenylphosphoranylidenepropanedioic acid O1-(1-adamantylmethyl) ester O3-(phenylmethyl) ester IUPAC Name: 1-O-(1-adamantylmethyl) 3-O-benzyl 2-(triphenyl-$l^{5}-phosphanylidene)propanedioate Traditional Name: 2-triphenylphosphoranylidenemalonic acid O1-(1-adamantylmethyl) ester O3-benzyl ester Formula: C39H39O4P MolecularWeight: 602.698321

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C(=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C(=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C39H39O4P/c40-37(42-27-29-13-5-1-6-14-29)36(38(41)43-28-39-24-30-21-31(25-39)23-32(22-30)26-39)44(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-20,30-32H,21-28H2