diethyl-[[2-methyl-7-oxidanyl-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl]azanium

Systemtic Name: diethyl-[[2-methyl-7-oxidanyl-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[7-hydroxy-2-methyl-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[7-hydroxy-2-methyl-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[7-hydroxy-2-methyl-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl]azanium Traditional Name: diethyl-[[7-hydroxy-4-keto-2-methyl-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl]ammonium Formula: C25H30NO6+ MolecularWeight: 440.5088

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC)CC)O)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC)CC)O)C

InChI

InChI=1S/C25H29NO6/c1-5-14-30-25(29)17-8-10-18(11-9-17)32-23-16(4)31-24-19(22(23)28)12-13-21(27)20(24)15-26(6-2)7-3/h8-13,27H,5-7,14-15H2,1-4H3/p+1