3-(3-ethoxy-3-oxidanylidene-propyl)-6-[[(4-methoxycarbonylphenyl)azaniumyl]methyl]-4,8-dimethyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3-ethoxy-3-oxidanylidene-propyl)-6-[[(4-methoxycarbonylphenyl)azaniumyl]methyl]-4,8-dimethyl-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(3-ethoxy-3-oxo-propyl)-6-[[(4-methoxycarbonylphenyl)ammonio]methyl]-4,8-dimethyl-2-oxo-chromen-7-olate CAS Name: 3-(3-ethoxy-3-oxopropyl)-6-[[(4-methoxycarbonylphenyl)ammonio]methyl]-4,8-dimethyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3-ethoxy-3-oxopropyl)-6-[[(4-methoxycarbonylphenyl)azaniumyl]methyl]-4,8-dimethyl-2-oxochromen-7-olate Traditional Name: 6-[[(4-carbomethoxyphenyl)ammonio]methyl]-3-(3-ethoxy-3-keto-propyl)-2-keto-4,8-dimethyl-chromen-7-olate Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)[O-])C[NH2+]C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)[O-])C[NH2+]C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C25H27NO7/c1-5-32-21(27)11-10-19-14(2)20-12-17(22(28)15(3)23(20)33-25(19)30)13-26-18-8-6-16(7-9-18)24(29)31-4/h6-9,12,26,28H,5,10-11,13H2,1-4H3