bis(8-methylnonyl) benzene-1,2-dicarboxylate; trioctyl phosphate

Systemtic Name: bis(8-methylnonyl) benzene-1,2-dicarboxylate; trioctyl phosphate Openeye Name: bis(8-methylnonyl) benzene-1,2-dicarboxylate; trioctyl phosphate CAS Name: benzene-1,2-dicarboxylic acid bis(8-methylnonyl) ester; phosphoric acid trioctyl ester IUPAC Name: bis(8-methylnonyl) benzene-1,2-dicarboxylate; trioctyl phosphate Traditional Name: benzene-1,2-dicarboxylic acid bis(8-methylnonyl) ester; phosphoric acid trioctyl ester Formula: C52H97O8P MolecularWeight: 881.295541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC.CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C

Isomeric SMILES

CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC.CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C

InChI

InChI=1S/C28H46O4.C24H51O4P/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4;1-4-7-10-13-16-19-22-26-29(25,27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3;4-24H2,1-3H3