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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O)C(=O)O

InChI

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