2-methylbutyl 4-[4-[12-(2,2-diacetyloxypropanoyloxy)dodecoxy]phenyl]benzoate

Systemtic Name: 2-methylbutyl 4-[4-[12-(2,2-diacetyloxypropanoyloxy)dodecoxy]phenyl]benzoate Openeye Name: 2-methylbutyl 4-[4-[12-(2,2-diacetoxypropanoyloxy)dodecoxy]phenyl]benzoate CAS Name: 4-[4-[12-(2,2-diacetyloxy-1-oxopropoxy)dodecoxy]phenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[4-[12-(2,2-diacetyloxypropanoyloxy)dodecoxy]phenyl]benzoate Traditional Name: 4-[4-[12-(2,2-diacetoxypropanoyloxy)dodecoxy]phenyl]benzoic acid 2-methylbutyl ester Formula: C37H52O9 MolecularWeight: 640.80338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCCCCCOC(=O)C(C)(OC(=O)C)OC(=O)C

Isomeric SMILES

CCC(C)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCCCCCOC(=O)C(C)(OC(=O)C)OC(=O)C

InChI

InChI=1S/C37H52O9/c1-6-28(2)27-44-35(40)33-19-17-31(18-20-33)32-21-23-34(24-22-32)42-25-15-13-11-9-7-8-10-12-14-16-26-43-36(41)37(5,45-29(3)38)46-30(4)39/h17-24,28H,6-16,25-27H2,1-5H3