2-methoxy-5-[2-(3-sulfophenyl)-5-(4-sulfophenyl)pyrylium-4-yl]benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[2-(3-sulfophenyl)-5-(4-sulfophenyl)pyrylium-4-yl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[2-(3-sulfophenyl)-5-(4-sulfophenyl)pyrylium-4-yl]benzenesulfonic acid CAS Name: 2-methoxy-5-[2-(3-sulfophenyl)-5-(4-sulfophenyl)-4-pyryliumyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[2-(3-sulfophenyl)-5-(4-sulfophenyl)pyrylium-4-yl]benzenesulfonic acid Traditional Name: 2-methoxy-5-[2-(3-sulfophenyl)-5-(4-sulfophenyl)pyrylium-4-yl]besylic acid Formula: C24H19O11S3+ MolecularWeight: 579.59606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=[O+]C=C2C3=CC=C(C=C3)S(=O)(=O)O)C4=CC(=CC=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=[O+]C=C2C3=CC=C(C=C3)S(=O)(=O)O)C4=CC(=CC=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H18O11S3/c1-34-22-10-7-16(12-24(22)38(31,32)33)20-13-23(17-3-2-4-19(11-17)37(28,29)30)35-14-21(20)15-5-8-18(9-6-15)36(25,26)27/h2-14H,1H3,(H2-,25,26,27,28,29,30,31,32,33)/p+1