3,6-bis(oxidanyl)-1-phenyl-xanthen-10-ium-9-carboxylic acid

Systemtic Name: 3,6-bis(oxidanyl)-1-phenyl-xanthen-10-ium-9-carboxylic acid Openeye Name: 3,6-dihydroxy-1-phenyl-xanthen-10-ium-9-carboxylic acid CAS Name: 3,6-dihydroxy-1-phenyl-9-xanthen-10-iumcarboxylic acid IUPAC Name: 3,6-dihydroxy-1-phenylxanthen-10-ium-9-carboxylic acid Traditional Name: 3,6-dihydroxy-1-phenyl-xanthen-10-ium-9-carboxylic acid Formula: C20H13O5+ MolecularWeight: 333.31422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC3=C2C(=C4C=CC(=CC4=[O+]3)O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC3=C2C(=C4C=CC(=CC4=[O+]3)O)C(=O)O)O

InChI

InChI=1S/C20H12O5/c21-12-6-7-14-16(9-12)25-17-10-13(22)8-15(11-4-2-1-3-5-11)18(17)19(14)20(23)24/h1-10H,(H2-,21,22,23,24)/p+1