2-[3,4,5,6-tetrakis(oxidanyl)xanthen-10-ium-9-yl]ethanoate

Systemtic Name: 2-[3,4,5,6-tetrakis(oxidanyl)xanthen-10-ium-9-yl]ethanoate Openeye Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)acetate CAS Name: 2-(3,4,5,6-tetrahydroxy-9-xanthen-10-iumyl)acetate IUPAC Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)acetate Traditional Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)acetate Formula: C15H10O7 MolecularWeight: 302.2357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=[O+]C3=C(C=CC(=C3O)O)C(=C21)CC(=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C2=[O+]C3=C(C=CC(=C3O)O)C(=C21)CC(=O)[O-])O)O

InChI

InChI=1S/C15H10O7/c16-9-3-1-6-8(5-11(18)19)7-2-4-10(17)13(21)15(7)22-14(6)12(9)20/h1-4H,5H2,(H4-,16,17,18,19,20,21)