4-methyl-3-(sulfomethyl)benzenesulfonic acid

Systemtic Name: 4-methyl-3-(sulfomethyl)benzenesulfonic acid Openeye Name: 4-methyl-3-(sulfomethyl)benzenesulfonic acid CAS Name: 4-methyl-3-(sulfomethyl)benzenesulfonic acid IUPAC Name: 4-methyl-3-(sulfomethyl)benzenesulfonic acid Traditional Name: 4-methyl-3-(sulfomethyl)besylic acid Formula: C8H10O6S2 MolecularWeight: 266.2914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C8H10O6S2/c1-6-2-3-8(16(12,13)14)4-7(6)5-15(9,10)11/h2-4H,5H2,1H3,(H,9,10,11)(H,12,13,14)