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

Systemtic Name: [3-(4-ethoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl]-methyl-ammonium CAS Name: [3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl]-methyl-ammonium Formula: C28H28NO6+ MolecularWeight: 474.52502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)CC4=CC=CC=C4)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C28H27NO6/c1-4-33-28(32)20-10-12-21(13-11-20)35-26-18(2)34-27-22(25(26)31)14-15-24(30)23(27)17-29(3)16-19-8-6-5-7-9-19/h5-15,30H,4,16-17H2,1-3H3/p+1