4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[[methyl-(phenylmethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[[methyl-(phenylmethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[[benzyl(methyl)ammonio]methyl]-4-(6-chloro-2-oxo-chromen-3-yl)-2-oxo-chromen-7-olate CAS Name: 4-(6-chloro-2-oxo-1-benzopyran-3-yl)-8-[[methyl-(phenylmethyl)ammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[benzyl(methyl)azaniumyl]methyl]-4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-olate Traditional Name: 8-[[benzyl(methyl)ammonio]methyl]-4-(6-chloro-2-keto-chromen-3-yl)-2-keto-chromen-7-olate Formula: C27H20ClNO5 MolecularWeight: 473.9044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)[O-]

InChI

InChI=1S/C27H20ClNO5/c1-29(14-16-5-3-2-4-6-16)15-22-23(30)9-8-19-20(13-25(31)34-26(19)22)21-12-17-11-18(28)7-10-24(17)33-27(21)32/h2-13,30H,14-15H2,1H3