5-[2,6-bis(4-sulfophenyl)pyrylium-4-yl]-2-methoxy-benzenesulfonic acid perchlorate

Systemtic Name: 5-[2,6-bis(4-sulfophenyl)pyrylium-4-yl]-2-methoxy-benzenesulfonic acid perchlorate Openeye Name: 5-[2,6-bis(4-sulfophenyl)pyrylium-4-yl]-2-methoxy-benzenesulfonic acid perchlorate CAS Name: 5-[2,6-bis(4-sulfophenyl)-4-pyryliumyl]-2-methoxybenzenesulfonic acid perchlorate IUPAC Name: 5-[2,6-bis(4-sulfophenyl)pyrylium-4-yl]-2-methoxybenzenesulfonic acid perchlorate Traditional Name: 5-[2,6-bis(4-sulfophenyl)pyrylium-4-yl]-2-methoxy-besylic acid perchlorate Formula: C24H19ClO15S3 MolecularWeight: 679.04666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=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)S(=O)(=O)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=C(C=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)S(=O)(=O)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C24H18O11S3.ClHO4/c1-34-21-11-6-17(14-24(21)38(31,32)33)18-12-22(15-2-7-19(8-3-15)36(25,26)27)35-23(13-18)16-4-9-20(10-5-16)37(28,29)30;2-1(3,4)5/h2-14H,1H3,(H2-,25,26,27,28,29,30,31,32,33);(H,2,3,4,5)