2-[3,4,5,6-tetrakis(oxidanyl)xanthen-10-ium-9-yl]cyclohexane-1-carboxylate

Systemtic Name: 2-[3,4,5,6-tetrakis(oxidanyl)xanthen-10-ium-9-yl]cyclohexane-1-carboxylate Openeye Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)cyclohexanecarboxylate CAS Name: 2-(3,4,5,6-tetrahydroxy-9-xanthen-10-iumyl)-1-cyclohexanecarboxylate IUPAC Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)cyclohexane-1-carboxylate Traditional Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)cyclohexanecarboxylate Formula: C20H18O7 MolecularWeight: 370.35272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=C3C=CC(=C(C3=[O+]C4=C2C=CC(=C4O)O)O)O)C(=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C2=C3C=CC(=C(C3=[O+]C4=C2C=CC(=C4O)O)O)O)C(=O)[O-]

InChI

InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10H,1-4H2,(H4-,21,22,23,24,25,26)