4-azanyl-6-(2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-azanyl-6-(2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid Openeye Name: 4-amino-6-(3-hydroxy-2,7-dimethoxy-6-oxo-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 4-amino-6-(3-hydroxy-2,7-dimethoxy-6-oxo-9-xanthenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-amino-6-(3-hydroxy-2,7-dimethoxy-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4-amino-6-(3-hydroxy-6-keto-2,7-dimethoxy-xanthen-9-yl)isophthalic acid Formula: C23H17NO9 MolecularWeight: 451.38238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OC)C4=CC(=C(C=C4C(=O)O)C(=O)O)N

Isomeric SMILES

COC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OC)C4=CC(=C(C=C4C(=O)O)C(=O)O)N

InChI

InChI=1S/C23H17NO9/c1-31-19-5-12-17(7-15(19)25)33-18-8-16(26)20(32-2)6-13(18)21(12)9-4-14(24)11(23(29)30)3-10(9)22(27)28/h3-8,25H,24H2,1-2H3,(H,27,28)(H,29,30)