4-(dioxidanylmethyl)-2,5-bis(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 4-(dioxidanylmethyl)-2,5-bis(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 4-(hydroperoxymethyl)-2,5-bis(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 4-(hydroperoxymethyl)-2,5-bis(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 4-(hydroperoxymethyl)-2,5-bis(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 4-(hydroperoxymethyl)-2,5-bis(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C34H20O10 MolecularWeight: 588.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4COO)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4COO)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O)C(=O)O

InChI

InChI=1S/C34H20O10/c35-17-1-5-21-28(10-17)43-29-11-18(36)2-6-22(29)32(21)25-14-27(34(39)40)26(9-16(25)15-42-41)33-23-7-3-19(37)12-30(23)44-31-13-20(38)4-8-24(31)33/h1-14,35,37,41H,15H2,(H,39,40)