4-methyl-2,5-disulfooxy-benzenesulfonic acid

Systemtic Name: 4-methyl-2,5-disulfooxy-benzenesulfonic acid Openeye Name: 4-methyl-2,5-disulfooxy-benzenesulfonic acid CAS Name: 4-methyl-2,5-disulfooxybenzenesulfonic acid IUPAC Name: 4-methyl-2,5-disulfooxybenzenesulfonic acid Traditional Name: 4-methyl-2,5-disulfoxy-besylic acid Formula: C7H8O11S3 MolecularWeight: 364.32682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OS(=O)(=O)O)S(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1OS(=O)(=O)O)S(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C7H8O11S3/c1-4-2-6(18-21(14,15)16)7(19(8,9)10)3-5(4)17-20(11,12)13/h2-3H,1H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)