bis(15-methylhexadecyl) benzene-1,2-dicarboxylate

Systemtic Name: bis(15-methylhexadecyl) benzene-1,2-dicarboxylate Openeye Name: bis(15-methylhexadecyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis(15-methylhexadecyl) ester IUPAC Name: bis(15-methylhexadecyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(15-methylhexadecyl) ester Formula: C42H74O4 MolecularWeight: 643.03456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C42H74O4/c1-37(2)31-25-21-17-13-9-5-7-11-15-19-23-29-35-45-41(43)39-33-27-28-34-40(39)42(44)46-36-30-24-20-16-12-8-6-10-14-18-22-26-32-38(3)4/h27-28,33-34,37-38H,5-26,29-32,35-36H2,1-4H3