2-[[2-methyl-3-(3-methyl-4-oxidanyl-phenyl)sulfonyl-4-oxidanyl-phenyl]methyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-[[2-methyl-3-(3-methyl-4-oxidanyl-phenyl)sulfonyl-4-oxidanyl-phenyl]methyl]naphthalene-1-sulfonic acid Openeye Name: 2-[[4-hydroxy-3-(4-hydroxy-3-methyl-phenyl)sulfonyl-2-methyl-phenyl]methyl]naphthalene-1-sulfonic acid CAS Name: 2-[[4-hydroxy-3-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenyl]methyl]-1-naphthalenesulfonic acid IUPAC Name: 2-[[4-hydroxy-3-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenyl]methyl]naphthalene-1-sulfonic acid Traditional Name: 2-[4-hydroxy-3-(4-hydroxy-3-methyl-phenyl)sulfonyl-2-methyl-benzyl]naphthalene-1-sulfonic acid Formula: C25H22O7S2 MolecularWeight: 498.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C2=C(C=CC(=C2C)CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C2=C(C=CC(=C2C)CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)O)O

InChI

InChI=1S/C25H22O7S2/c1-15-13-20(10-12-22(15)26)33(28,29)24-16(2)18(9-11-23(24)27)14-19-8-7-17-5-3-4-6-21(17)25(19)34(30,31)32/h3-13,26-27H,14H2,1-2H3,(H,30,31,32)