dibutyl decanedioate; 10-[2-(1-iodanylethyl)hexoxy]-10-oxidanylidene-decanoate

Systemtic Name: dibutyl decanedioate; 10-[2-(1-iodanylethyl)hexoxy]-10-oxidanylidene-decanoate Openeye Name: dibutyl decanedioate; 10-[2-(1-iodoethyl)hexoxy]-10-oxo-decanoate CAS Name: decanedioic acid dibutyl ester; 10-[2-(1-iodoethyl)hexoxy]-10-oxodecanoate IUPAC Name: dibutyl decanedioate; 10-[2-(1-iodoethyl)hexoxy]-10-oxodecanoate Traditional Name: 10-[2-(1-iodoethyl)hexoxy]-10-keto-caprate; sebacic acid dibutyl ester Formula: C36H66IO8- MolecularWeight: 753.80891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COC(=O)CCCCCCCCC(=O)[O-])C(C)I.CCCCOC(=O)CCCCCCCCC(=O)OCCCC

Isomeric SMILES

CCCCC(COC(=O)CCCCCCCCC(=O)[O-])C(C)I.CCCCOC(=O)CCCCCCCCC(=O)OCCCC

InChI

InChI=1S/C18H33IO4.C18H34O4/c1-3-4-11-16(15(2)19)14-23-18(22)13-10-8-6-5-7-9-12-17(20)21;1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h15-16H,3-14H2,1-2H3,(H,20,21);3-16H2,1-2H3/p-1