3-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzene-1,4-disulfonic acid

Systemtic Name: 3-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzene-1,4-disulfonic acid Openeye Name: 2,5-dihydroxy-3-(p-tolylsulfonyl)benzene-1,4-disulfonic acid CAS Name: 2,5-dihydroxy-3-(4-methylphenyl)sulfonylbenzene-1,4-disulfonic acid IUPAC Name: 2,5-dihydroxy-3-(4-methylphenyl)sulfonylbenzene-1,4-disulfonic acid Traditional Name: 2,5-dihydroxy-3-tosyl-benzene-1,4-disulfonic acid Formula: C13H12O10S3 MolecularWeight: 424.42338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2O)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2O)S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C13H12O10S3/c1-7-2-4-8(5-3-7)24(16,17)13-11(15)10(25(18,19)20)6-9(14)12(13)26(21,22)23/h2-6,14-15H,1H3,(H,18,19,20)(H,21,22,23)