8-methyl-2-oxidanyl-4-oxidanylidene-chromene-3-carbonitrile hydrate

Systemtic Name: 8-methyl-2-oxidanyl-4-oxidanylidene-chromene-3-carbonitrile hydrate Openeye Name: 2-hydroxy-8-methyl-4-oxo-chromene-3-carbonitrile hydrate CAS Name: 2-hydroxy-8-methyl-4-oxo-1-benzopyran-3-carbonitrile hydrate IUPAC Name: 2-hydroxy-8-methyl-4-oxochromene-3-carbonitrile hydrate Traditional Name: 2-hydroxy-4-keto-8-methyl-chromene-3-carbonitrile hydrate Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=C(C2=O)C#N)O.O

Isomeric SMILES

CC1=CC=CC2=C1OC(=C(C2=O)C#N)O.O

InChI

InChI=1S/C11H7NO3.H2O/c1-6-3-2-4-7-9(13)8(5-12)11(14)15-10(6)7;/h2-4,14H,1H3;1H2