diethyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)chromen-8-yl]methyl]azanium

Systemtic Name: diethyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)chromen-8-yl]methyl]azanium Traditional Name: diethyl-[[7-hydroxy-4-keto-3-(4-phenylphenoxy)chromen-8-yl]methyl]ammonium Formula: C26H26NO4+ MolecularWeight: 416.48894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H25NO4/c1-3-27(4-2)16-22-23(28)15-14-21-25(29)24(17-30-26(21)22)31-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-15,17,28H,3-4,16H2,1-2H3/p+1