6-chloranyl-1H-quinolin-4-one hydrate

Systemtic Name: 6-chloranyl-1H-quinolin-4-one hydrate Openeye Name: 6-chloro-1H-quinolin-4-one hydrate CAS Name: 6-chloro-1H-quinolin-4-one hydrate IUPAC Name: 6-chloro-1H-quinolin-4-one hydrate Traditional Name: 6-chloro-4-quinolone hydrate Formula: C18H14Cl2N2O3 MolecularWeight: 377.22136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=O)C=CN2.C1=CC2=C(C=C1Cl)C(=O)C=CN2.O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=O)C=CN2.C1=CC2=C(C=C1Cl)C(=O)C=CN2.O

InChI

InChI=1S/2C9H6ClNO.H2O/c2*10-6-1-2-8-7(5-6)9(12)3-4-11-8;/h2*1-5H,(H,11,12);1H2