6,8-bis(chloranyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)chromen-2-one hydrate

Systemtic Name: 6,8-bis(chloranyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)chromen-2-one hydrate Openeye Name: 6,8-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)chromen-2-one hydrate CAS Name: 6,8-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-benzopyran-2-one hydrate IUPAC Name: 6,8-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)chromen-2-one hydrate Traditional Name: 6,8-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)coumarin hydrate Formula: C18H14Cl2N2O3 MolecularWeight: 377.22136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl.O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl.O

InChI

InChI=1S/C18H12Cl2N2O2.H2O/c1-8-3-14-15(4-9(8)2)22-17(21-14)12-6-10-5-11(19)7-13(20)16(10)24-18(12)23;/h3-7H,1-2H3,(H,21,22);1H2