butane-1,3-diol; dibutyl decanedioate; propane-1,2-diol; propane-1,2,3-triol

Systemtic Name: butane-1,3-diol; dibutyl decanedioate; propane-1,2-diol; propane-1,2,3-triol Openeye Name: butane-1,3-diol; dibutyl decanedioate; glycerol; propane-1,2-diol CAS Name: butane-1,3-diol; decanedioic acid dibutyl ester; propane-1,2-diol; propane-1,2,3-triol IUPAC Name: butane-1,3-diol; dibutyl decanedioate; propane-1,2-diol; propane-1,2,3-triol Traditional Name: butane-1,3-diol; glycerol; propane-1,2-diol; sebacic acid dibutyl ester Formula: C28H60O11 MolecularWeight: 572.7694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCCCCC(=O)OCCCC.CC(CCO)O.CC(CO)O.C(C(CO)O)O

Isomeric SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCCCC.CC(CCO)O.CC(CO)O.C(C(CO)O)O

InChI

InChI=1S/C18H34O4.C4H10O2.C3H8O3.C3H8O2/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2;1-4(6)2-3-5;4-1-3(6)2-5;1-3(5)2-4/h3-16H2,1-2H3;4-6H,2-3H2,1H3;3-6H,1-2H2;3-5H,2H2,1H3