dibutyl decanedioate; 1-dodecylazepan-2-one; 2-oxidanyloctanoic acid

Systemtic Name: dibutyl decanedioate; 1-dodecylazepan-2-one; 2-oxidanyloctanoic acid Openeye Name: dibutyl decanedioate; 1-dodecylazepan-2-one; 2-hydroxyoctanoic acid CAS Name: decanedioic acid dibutyl ester; 1-dodecyl-2-azepanone; 2-hydroxyoctanoic acid IUPAC Name: dibutyl decanedioate; 1-dodecylazepan-2-one; 2-hydroxyoctanoic acid Traditional Name: 2-hydroxycaprylic acid; 1-laurylazepan-2-one; sebacic acid dibutyl ester Formula: C44H85NO8 MolecularWeight: 756.1476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CCCCCC1=O.CCCCCCC(C(=O)O)O.CCCCOC(=O)CCCCCCCCC(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCN1CCCCCC1=O.CCCCCCC(C(=O)O)O.CCCCOC(=O)CCCCCCCCC(=O)OCCCC

InChI

InChI=1S/C18H35NO.C18H34O4.C8H16O3/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20;1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2;1-2-3-4-5-6-7(9)8(10)11/h2-17H2,1H3;3-16H2,1-2H3;7,9H,2-6H2,1H3,(H,10,11)