1,3-bis(oxidanylidene)indene-2-carbonitrile hydrate

Systemtic Name: 1,3-bis(oxidanylidene)indene-2-carbonitrile hydrate Openeye Name: 1,3-dioxoindane-2-carbonitrile hydrate CAS Name: 1,3-dioxo-2-indenecarbonitrile hydrate IUPAC Name: 1,3-dioxoindene-2-carbonitrile hydrate Traditional Name: 1,3-diketoindane-2-carbonitrile hydrate Formula: C20H12N2O5 MolecularWeight: 360.31968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)C#N.C1=CC=C2C(=C1)C(=O)C(C2=O)C#N.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C#N.C1=CC=C2C(=C1)C(=O)C(C2=O)C#N.O

InChI

InChI=1S/2C10H5NO2.H2O/c2*11-5-8-9(12)6-3-1-2-4-7(6)10(8)13;/h2*1-4,8H;1H2