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

Systemtic Name: 4-[4-(4-acetyloxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate Openeye Name: 4-[4-(4-acetoxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate CAS Name: 4-[4-(4-acetyloxyphenyl)-6-(4-sulfophenyl)-2-pyryliumyl]benzenesulfonate IUPAC Name: 4-[4-(4-acetyloxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate Traditional Name: 4-[4-(4-acetoxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]besylate Formula: C25H18O9S2 MolecularWeight: 526.53502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C25H18O9S2/c1-16(26)33-21-8-2-17(3-9-21)20-14-24(18-4-10-22(11-5-18)35(27,28)29)34-25(15-20)19-6-12-23(13-7-19)36(30,31)32/h2-15H,1H3,(H-,27,28,29,30,31,32)