4-azanyl-5-[4-(3,7-dimethoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)-2-methoxy-phenoxy]-5-oxidanylidene-pentanoic acid hydrobromide

Systemtic Name: 4-azanyl-5-[4-(3,7-dimethoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)-2-methoxy-phenoxy]-5-oxidanylidene-pentanoic acid hydrobromide Openeye Name: 4-amino-5-[4-(5-hydroxy-3,7-dimethoxy-4-oxo-chromen-2-yl)-2-methoxy-phenoxy]-5-oxo-pentanoic acid hydrobromide CAS Name: 4-amino-5-[4-(5-hydroxy-3,7-dimethoxy-4-oxo-1-benzopyran-2-yl)-2-methoxyphenoxy]-5-oxopentanoic acid hydrobromide IUPAC Name: 4-amino-5-[4-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-5-oxopentanoic acid hydrobromide Traditional Name: 4-amino-5-[4-(5-hydroxy-4-keto-3,7-dimethoxy-chromen-2-yl)-2-methoxy-phenoxy]-5-keto-valeric acid hydrobromide Formula: C23H24BrNO10 MolecularWeight: 554.34136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)OC(=O)C(CCC(=O)O)N)OC)O.Br

Isomeric SMILES

COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)OC(=O)C(CCC(=O)O)N)OC)O.Br

InChI

InChI=1S/C23H23NO10.BrH/c1-30-12-9-14(25)19-17(10-12)33-21(22(32-3)20(19)28)11-4-6-15(16(8-11)31-2)34-23(29)13(24)5-7-18(26)27;/h4,6,8-10,13,25H,5,7,24H2,1-3H3,(H,26,27);1H