[2-oxidanyl-3-(triphenylmethyl)oxy-propyl] 8-bromanyloctanoate

Systemtic Name: [2-oxidanyl-3-(triphenylmethyl)oxy-propyl] 8-bromanyloctanoate Openeye Name: (2-hydroxy-3-trityloxy-propyl) 8-bromooctanoate CAS Name: 8-bromooctanoic acid [2-hydroxy-3-(triphenylmethyl)oxypropyl] ester IUPAC Name: (2-hydroxy-3-trityloxypropyl) 8-bromooctanoate Traditional Name: 8-bromocaprylic acid (2-hydroxy-3-trityloxy-propyl) ester Formula: C30H35BrO4 MolecularWeight: 539.5005

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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(COC(=O)CCCCCCCBr)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(COC(=O)CCCCCCCBr)O

InChI

InChI=1S/C30H35BrO4/c31-22-14-3-1-2-13-21-29(33)34-23-28(32)24-35-30(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-12,15-20,28,32H,1-3,13-14,21-24H2