hexanedioic acid; 3-(3-oxidanylbutan-2-yloxy)propane-1,2-diol

Systemtic Name: hexanedioic acid; 3-(3-oxidanylbutan-2-yloxy)propane-1,2-diol Openeye Name: adipic acid; 3-(2-hydroxy-1-methyl-propoxy)propane-1,2-diol CAS Name: hexanedioic acid; 3-(3-hydroxybutan-2-yloxy)propane-1,2-diol IUPAC Name: hexanedioic acid; 3-(3-hydroxybutan-2-yloxy)propane-1,2-diol Traditional Name: adipic acid; 3-(2-hydroxy-1-methyl-propoxy)propane-1,2-diol Formula: C13H26O8 MolecularWeight: 310.34074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OCC(CO)O)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C(C)OCC(CO)O)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C7H16O4.C6H10O4/c1-5(9)6(2)11-4-7(10)3-8;7-5(8)3-1-2-4-6(9)10/h5-10H,3-4H2,1-2H3;1-4H2,(H,7,8)(H,9,10)