dibutyl decanedioate; 3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate

Systemtic Name: dibutyl decanedioate; 3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate Openeye Name: dibutyl decanedioate; 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate CAS Name: decanedioic acid dibutyl ester; 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate IUPAC Name: dibutyl decanedioate; 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate Traditional Name: 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate; sebacic acid dibutyl ester Formula: C30H51O11-3 MolecularWeight: 587.71934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCCCCC(=O)OCCCC.CCC(C(=O)[O-])C(C(=O)[O-])(C(CC)(CC)C(=O)[O-])O

Isomeric SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCCCC.CCC(C(=O)[O-])C(C(=O)[O-])(C(CC)(CC)C(=O)[O-])O

InChI

InChI=1S/C18H34O4.C12H20O7/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2;1-4-7(8(13)14)12(19,10(17)18)11(5-2,6-3)9(15)16/h3-16H2,1-2H3;7,19H,4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/p-3