(Z)-but-2-enedioate; pyridin-3-ylmethanol; hydrate

Systemtic Name: (Z)-but-2-enedioate; pyridin-3-ylmethanol; hydrate Openeye Name: (Z)-but-2-enedioate; 3-pyridylmethanol; hydrate CAS Name: (Z)-2-butenedioate; 3-pyridinylmethanol; hydrate IUPAC Name: (Z)-but-2-enedioate; pyridin-3-ylmethanol; hydrate Traditional Name: 3-pyridylmethanol maleate hydrate Formula: C10H11NO6-2 MolecularWeight: 241.19744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CO.C(=CC(=O)[O-])C(=O)[O-].O

Isomeric SMILES

C1=CC(=CN=C1)CO.C(=C\C(=O)[O-])\C(=O)[O-].O

InChI

InChI=1S/C6H7NO.C4H4O4.H2O/c8-5-6-2-1-3-7-4-6;5-3(6)1-2-4(7)8;/h1-4,8H,5H2;1-2H,(H,5,6)(H,7,8);1H2/p-2/b;2-1-;