3,4,5-tris(oxidanyl)-1,6-bis-(triphenylmethyl)oxy-hexan-2-one

Systemtic Name: 3,4,5-tris(oxidanyl)-1,6-bis-(triphenylmethyl)oxy-hexan-2-one Openeye Name: 3,4,5-trihydroxy-1,6-ditrityloxy-hexan-2-one CAS Name: 3,4,5-trihydroxy-1,6-bis-(triphenylmethyl)oxy-2-hexanone IUPAC Name: 3,4,5-trihydroxy-1,6-ditrityloxyhexan-2-one Traditional Name: 3,4,5-trihydroxy-1,6-ditrityloxy-hexan-2-one Formula: C44H40O6 MolecularWeight: 664.7848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(C(C(C(=O)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(C(C(C(=O)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O)O

InChI

InChI=1S/C44H40O6/c45-39(31-49-43(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)41(47)42(48)40(46)32-50-44(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39,41-42,45,47-48H,31-32H2