3-[[2-(4-hydroxyphenyl)sulfonyl-5-oxidanyl-phenyl]methyl]naphthalene-2-sulfonic acid

Systemtic Name: 3-[[2-(4-hydroxyphenyl)sulfonyl-5-oxidanyl-phenyl]methyl]naphthalene-2-sulfonic acid Openeye Name: 3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonyl-phenyl]methyl]naphthalene-2-sulfonic acid CAS Name: 3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonylphenyl]methyl]-2-naphthalenesulfonic acid IUPAC Name: 3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonic acid Traditional Name: 3-[5-hydroxy-2-(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=C2C=C(C(=CC2=C1)CC3=C(C=CC(=C3)O)S(=O)(=O)C4=CC=C(C=C4)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)CC3=C(C=CC(=C3)O)S(=O)(=O)C4=CC=C(C=C4)O)S(=O)(=O)O

InChI

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