2-[12-(2,2-diacetyloxypropanoyloxy)dodecoxy]-4-phenyl-3-(phenylcarbonyloxy)benzoic acid

Systemtic Name: 2-[12-(2,2-diacetyloxypropanoyloxy)dodecoxy]-4-phenyl-3-(phenylcarbonyloxy)benzoic acid Openeye Name: 3-benzoyloxy-2-[12-(2,2-diacetoxypropanoyloxy)dodecoxy]-4-phenyl-benzoic acid CAS Name: 3-benzoyloxy-2-[12-(2,2-diacetyloxy-1-oxopropoxy)dodecoxy]-4-phenylbenzoic acid IUPAC Name: 3-benzoyloxy-2-[12-(2,2-diacetyloxypropanoyloxy)dodecoxy]-4-phenylbenzoic acid Traditional Name: 3-benzoyloxy-2-[12-(2,2-diacetoxypropanoyloxy)dodecoxy]-4-phenyl-benzoic acid Formula: C39H46O11 MolecularWeight: 690.77594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C(=O)OCCCCCCCCCCCCOC1=C(C=CC(=C1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC(C)(C(=O)OCCCCCCCCCCCCOC1=C(C=CC(=C1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)OC(=O)C

InChI

InChI=1S/C39H46O11/c1-28(40)49-39(3,50-29(2)41)38(45)47-27-19-11-9-7-5-4-6-8-10-18-26-46-34-33(36(42)43)25-24-32(30-20-14-12-15-21-30)35(34)48-37(44)31-22-16-13-17-23-31/h12-17,20-25H,4-11,18-19,26-27H2,1-3H3,(H,42,43)