dibutyl-[[3-(2,4-dichlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]azanium

Systemtic Name: dibutyl-[[3-(2,4-dichlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]azanium Openeye Name: dibutyl-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl]ammonium CAS Name: dibutyl-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: dibutyl-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl]azanium Traditional Name: dibutyl-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl]ammonium Formula: C24H28Cl2NO3+ MolecularWeight: 449.39002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC=C(C2=O)C3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC=C(C2=O)C3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C24H27Cl2NO3/c1-3-5-11-27(12-6-4-2)14-19-22(28)10-9-18-23(29)20(15-30-24(18)19)17-8-7-16(25)13-21(17)26/h7-10,13,15,28H,3-6,11-12,14H2,1-2H3/p+1