bis(16-methylheptadecyl) benzene-1,3-dicarboxylate

Systemtic Name: bis(16-methylheptadecyl) benzene-1,3-dicarboxylate Openeye Name: bis(16-methylheptadecyl) benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid bis(16-methylheptadecyl) ester IUPAC Name: bis(16-methylheptadecyl) benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid bis(16-methylheptadecyl) ester Formula: C44H78O4 MolecularWeight: 671.08772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C44H78O4/c1-39(2)32-27-23-19-15-11-7-5-9-13-17-21-25-29-36-47-43(45)41-34-31-35-42(38-41)44(46)48-37-30-26-22-18-14-10-6-8-12-16-20-24-28-33-40(3)4/h31,34-35,38-40H,5-30,32-33,36-37H2,1-4H3