6,7-dimethyl-2-oxidanyl-4-oxidanylidene-chromene-3-carbonitrile hydrate

Systemtic Name: 6,7-dimethyl-2-oxidanyl-4-oxidanylidene-chromene-3-carbonitrile hydrate Openeye Name: 2-hydroxy-6,7-dimethyl-4-oxo-chromene-3-carbonitrile hydrate CAS Name: 2-hydroxy-6,7-dimethyl-4-oxo-1-benzopyran-3-carbonitrile hydrate IUPAC Name: 2-hydroxy-6,7-dimethyl-4-oxochromene-3-carbonitrile hydrate Traditional Name: 2-hydroxy-4-keto-6,7-dimethyl-chromene-3-carbonitrile hydrate Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)O)C#N)C.O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)O)C#N)C.O

InChI

InChI=1S/C12H9NO3.H2O/c1-6-3-8-10(4-7(6)2)16-12(15)9(5-13)11(8)14;/h3-4,15H,1-2H3;1H2