3-(1H-benzimidazol-2-yl)-6,8-bis(chloranyl)chromen-2-one hydrate

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6,8-bis(chloranyl)chromen-2-one hydrate Openeye Name: 3-(1H-benzimidazol-2-yl)-6,8-dichloro-chromen-2-one hydrate CAS Name: 3-(1H-benzimidazol-2-yl)-6,8-dichloro-1-benzopyran-2-one hydrate IUPAC Name: 3-(1H-benzimidazol-2-yl)-6,8-dichlorochromen-2-one hydrate Traditional Name: 3-(1H-benzimidazol-2-yl)-6,8-dichloro-coumarin hydrate Formula: C16H10Cl2N2O3 MolecularWeight: 349.1682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl.O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl.O

InChI

InChI=1S/C16H8Cl2N2O2.H2O/c17-9-5-8-6-10(16(21)22-14(8)11(18)7-9)15-19-12-3-1-2-4-13(12)20-15;/h1-7H,(H,19,20);1H2