O1,O2-bis(8-methylnonyl) O4-tridecyl benzene-1,2,4-tricarboxylate

Systemtic Name: O1,O2-bis(8-methylnonyl) O4-tridecyl benzene-1,2,4-tricarboxylate Openeye Name: O1,O2-bis(8-methylnonyl) O4-tridecyl benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid O1,O2-bis(8-methylnonyl) ester O4-tridecyl ester IUPAC Name: 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid O1,O2-bis(8-methylnonyl) ester O4-tridecyl ester Formula: C42H72O6 MolecularWeight: 673.01748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C

InChI

InChI=1S/C42H72O6/c1-6-7-8-9-10-11-12-13-14-19-24-31-46-40(43)37-29-30-38(41(44)47-32-25-20-15-17-22-27-35(2)3)39(34-37)42(45)48-33-26-21-16-18-23-28-36(4)5/h29-30,34-36H,6-28,31-33H2,1-5H3