(E)-but-2-enedioic acid; 2-(dimethylamino)cycloheptan-1-ol; hydrate

Systemtic Name: (E)-but-2-enedioic acid; 2-(dimethylamino)cycloheptan-1-ol; hydrate Openeye Name: 2-(dimethylamino)cycloheptanol; fumaric acid; hydrate CAS Name: (E)-2-butenedioic acid; 2-(dimethylamino)-1-cycloheptanol; hydrate IUPAC Name: (E)-but-2-enedioic acid; 2-(dimethylamino)cycloheptan-1-ol; hydrate Traditional Name: 2-(dimethylamino)cycloheptanol; fumaric acid; hydrate Formula: C13H25NO6 MolecularWeight: 291.3407

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCCCC1O.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CN(C)C1CCCCCC1O.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C9H19NO.C4H4O4.H2O/c1-10(2)8-6-4-3-5-7-9(8)11;5-3(6)1-2-4(7)8;/h8-9,11H,3-7H2,1-2H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;