4-(dioxidanylmethyl)-6-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(dioxidanylmethyl)-6-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(hydroperoxymethyl)-6-(3-hydroxy-6-oxo-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 4-(hydroperoxymethyl)-6-(3-hydroxy-6-oxo-9-xanthenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(hydroperoxymethyl)-6-(3-hydroxy-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(hydroperoxymethyl)-6-(3-hydroxy-6-keto-xanthen-9-yl)isophthalic acid Formula: C22H14O9 MolecularWeight: 422.34116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)C(=O)O)COO

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)C(=O)O)COO

InChI

InChI=1S/C22H14O9/c23-11-1-3-13-18(6-11)31-19-7-12(24)2-4-14(19)20(13)16-5-10(9-30-29)15(21(25)26)8-17(16)22(27)28/h1-8,23,29H,9H2,(H,25,26)(H,27,28)