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

Systemtic Name: 4-(dioxidanylmethyl)-6-(3-methylidene-6-oxidanyl-xanthen-9-yl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(hydroperoxymethyl)-6-(3-hydroxy-6-methylene-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 4-(hydroperoxymethyl)-6-(3-hydroxy-6-methylene-9-xanthenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(hydroperoxymethyl)-6-(3-hydroxy-6-methylidenexanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(hydroperoxymethyl)-6-(3-hydroxy-6-methylene-xanthen-9-yl)isophthalic acid Formula: C23H16O8 MolecularWeight: 420.36834

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1)C4=CC(=C(C=C4C(=O)O)C(=O)O)COO

Isomeric SMILES

C=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1)C4=CC(=C(C=C4C(=O)O)C(=O)O)COO

InChI

InChI=1S/C23H16O8/c1-11-2-4-14-19(6-11)31-20-8-13(24)3-5-15(20)21(14)17-7-12(10-30-29)16(22(25)26)9-18(17)23(27)28/h2-9,24,29H,1,10H2,(H,25,26)(H,27,28)