2-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 2-(3,6-dihydroxyxanthen-10-ium-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 2-(3,6-dihydroxy-9-xanthen-10-iumyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(3,6-dihydroxyxanthen-10-ium-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2-(3,6-dihydroxyxanthen-10-ium-9-yl)isophthalic acid Formula: C21H13O7+ MolecularWeight: 377.32372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O)C(=O)O

InChI

InChI=1S/C21H12O7/c22-10-4-6-12-16(8-10)28-17-9-11(23)5-7-13(17)18(12)19-14(20(24)25)2-1-3-15(19)21(26)27/h1-9H,(H3-,22,23,24,25,26,27)/p+1