bis(2-ethylhexyl) benzene-1,2-dicarboxylate; (Z)-2,3-dioctylbut-2-enedioate

Systemtic Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate; (Z)-2,3-dioctylbut-2-enedioate Openeye Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate; (Z)-2,3-dioctylbut-2-enedioate CAS Name: benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester; (Z)-2,3-dioctyl-2-butenedioate IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate; (Z)-2,3-dioctylbut-2-enedioate Traditional Name: benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester; (Z)-2,3-dioctylbut-2-enedioate Formula: C44H72O8-2 MolecularWeight: 729.03768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=C(CCCCCCCC)C(=O)[O-])C(=O)[O-].CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCCCC/C(=C(\CCCCCCCC)/C(=O)[O-])/C(=O)[O-].CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

InChI

InChI=1S/C24H38O4.C20H36O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;1-3-5-7-9-11-13-15-17(19(21)22)18(20(23)24)16-14-12-10-8-6-4-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;3-16H2,1-2H3,(H,21,22)(H,23,24)/p-2/b;18-17-