3-[3,4,5,6-tetrakis(oxidanyl)-9H-xanthen-9-yl]benzoic acid

Systemtic Name: 3-[3,4,5,6-tetrakis(oxidanyl)-9H-xanthen-9-yl]benzoic acid Openeye Name: 3-(3,4,5,6-tetrahydroxy-9H-xanthen-9-yl)benzoic acid CAS Name: 3-(3,4,5,6-tetrahydroxy-9H-xanthen-9-yl)benzoic acid IUPAC Name: 3-(3,4,5,6-tetrahydroxy-9H-xanthen-9-yl)benzoic acid Traditional Name: 3-(3,4,5,6-tetrahydroxy-9H-xanthen-9-yl)benzoic acid Formula: C20H14O7 MolecularWeight: 366.32096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2C3=C(C(=C(C=C3)O)O)OC4=C2C=CC(=C4O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C2C3=C(C(=C(C=C3)O)O)OC4=C2C=CC(=C4O)O)C(=O)O

InChI

InChI=1S/C20H14O7/c21-13-6-4-11-15(9-2-1-3-10(8-9)20(25)26)12-5-7-14(22)17(24)19(12)27-18(11)16(13)23/h1-8,15,21-24H,(H,25,26)