[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl] 2,5-bis(triphenylmethyl)-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: [(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl] 2,5-bis(triphenylmethyl)-3,4-dihydropyrazole-3-carboxylate Openeye Name: [(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl] 2,5-ditrityl-3,4-dihydropyrazole-3-carboxylate CAS Name: 2,5-bis(triphenylmethyl)-3,4-dihydropyrazole-3-carboxylic acid [(3R)-4,4-dimethyl-2-oxo-3-oxolanyl] ester IUPAC Name: [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2,5-ditrityl-3,4-dihydropyrazole-3-carboxylate Traditional Name: 2,5-ditrityl-2-pyrazoline-3-carboxylic acid [(3R)-2-keto-4,4-dimethyl-tetrahydrofuran-3-yl] ester Formula: C48H42N2O4 MolecularWeight: 710.85808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C1OC(=O)C2CC(=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C

Isomeric SMILES

CC1(COC(=O)[C@@H]1OC(=O)C2CC(=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C

InChI

InChI=1S/C48H42N2O4/c1-46(2)34-53-45(52)43(46)54-44(51)41-33-42(47(35-21-9-3-10-22-35,36-23-11-4-12-24-36)37-25-13-5-14-26-37)49-50(41)48(38-27-15-6-16-28-38,39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-32,41,43H,33-34H2,1-2H3/t41?,43-/m0/s1