tris(1,2-diphenylbutan-2-yl) 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tris(1,2-diphenylbutan-2-yl) 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tris(1-benzyl-1-phenyl-propyl) 2-hydroxypropane-1,2,3-tricarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(1,2-diphenylbutan-2-yl) ester IUPAC Name: tris(1,2-diphenylbutan-2-yl) 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(1-benzyl-1-phenyl-propyl) ester Formula: C54H56O7 MolecularWeight: 817.01824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)CC(CC(=O)OC(CC)(CC3=CC=CC=C3)C4=CC=CC=C4)(C(=O)OC(CC)(CC5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)CC(CC(=O)OC(CC)(CC3=CC=CC=C3)C4=CC=CC=C4)(C(=O)OC(CC)(CC5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C54H56O7/c1-4-52(45-31-19-10-20-32-45,37-42-25-13-7-14-26-42)59-48(55)40-51(58,50(57)61-54(6-3,47-35-23-12-24-36-47)39-44-29-17-9-18-30-44)41-49(56)60-53(5-2,46-33-21-11-22-34-46)38-43-27-15-8-16-28-43/h7-36,58H,4-6,37-41H2,1-3H3