dinonyl decanedioate; dinonyl 2,5-diethylhexanedioate; dinonyl 2-ethyloctanedioate

Systemtic Name: dinonyl decanedioate; dinonyl 2,5-diethylhexanedioate; dinonyl 2-ethyloctanedioate Openeye Name: dinonyl decanedioate; dinonyl 2,5-diethylhexanedioate; dinonyl 2-ethyloctanedioate CAS Name: decanedioic acid dinonyl ester; 2,5-diethylhexanedioic acid dinonyl ester; 2-ethyloctanedioic acid dinonyl ester IUPAC Name: dinonyl decanedioate; dinonyl 2,5-diethylhexanedioate; dinonyl 2-ethyloctanedioate Traditional Name: 2,5-diethyladipic acid dinonyl ester; 2-ethylsuberic acid dinonyl ester; sebacic acid dinonyl ester Formula: C84H162O12 MolecularWeight: 1364.17788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC.CCCCCCCCCOC(=O)CCCCCC(CC)C(=O)OCCCCCCCCC.CCCCCCCCCOC(=O)C(CC)CCC(CC)C(=O)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC.CCCCCCCCCOC(=O)CCCCCC(CC)C(=O)OCCCCCCCCC.CCCCCCCCCOC(=O)C(CC)CCC(CC)C(=O)OCCCCCCCCC

InChI

InChI=1S/3C28H54O4/c1-5-9-11-13-15-17-19-23-31-27(29)25(7-3)21-22-26(8-4)28(30)32-24-20-18-16-14-12-10-6-2;1-4-7-9-11-13-15-20-24-31-27(29)23-19-17-18-22-26(6-3)28(30)32-25-21-16-14-12-10-8-5-2;1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h25-26H,5-24H2,1-4H3;26H,4-25H2,1-3H3;3-26H2,1-2H3