4-[4-carboxy-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate

Systemtic Name: 4-[4-carboxy-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate Openeye Name: 4-[4-carboxy-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate CAS Name: 4-[4-carboxy-6-(4-sulfophenyl)-2-pyryliumyl]benzenesulfonate IUPAC Name: 4-[4-carboxy-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate Traditional Name: 4-[4-carboxy-6-(4-sulfophenyl)pyrylium-2-yl]besylate Formula: C18H12O9S2 MolecularWeight: 436.41248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC(=[O+]2)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC(=[O+]2)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H12O9S2/c19-18(20)13-9-16(11-1-5-14(6-2-11)28(21,22)23)27-17(10-13)12-3-7-15(8-4-12)29(24,25)26/h1-10H,(H2-,19,20,21,22,23,24,25,26)