7-[[5-(4-hydroxyphenyl)sulfonyl-2-oxidanyl-phenyl]methyl]naphthalene-2-sulfonic acid

Systemtic Name: 7-[[5-(4-hydroxyphenyl)sulfonyl-2-oxidanyl-phenyl]methyl]naphthalene-2-sulfonic acid Openeye Name: 7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonyl-phenyl]methyl]naphthalene-2-sulfonic acid CAS Name: 7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-2-naphthalenesulfonic acid IUPAC Name: 7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonic acid Traditional Name: 7-[2-hydroxy-5-(4-hydroxyphenyl)sulfonyl-benzyl]naphthalene-2-sulfonic acid Formula: C23H18O7S2 MolecularWeight: 470.51482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)CC3=C(C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)CC3=C(C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C23H18O7S2/c24-19-4-7-20(8-5-19)31(26,27)21-9-10-23(25)18(14-21)12-15-1-2-16-3-6-22(32(28,29)30)13-17(16)11-15/h1-11,13-14,24-25H,12H2,(H,28,29,30)