(E)-but-2-enedioic acid; hexanedioic acid; propane-1,2-diol

Systemtic Name: (E)-but-2-enedioic acid; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; fumaric acid; propane-1,2-diol CAS Name: (E)-2-butenedioic acid; hexanedioic acid; propane-1,2-diol IUPAC Name: (E)-but-2-enedioic acid; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; fumaric acid; propane-1,2-diol Formula: C13H22O10 MolecularWeight: 338.30778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CO)O.C(CCC(=O)O)CC(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C6H10O4.C4H4O4.C3H8O2/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;1-3(5)2-4/h1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8);3-5H,2H2,1H3/b;2-1+;