2-(4,5-dimethyl-2-sulfo-phenyl)-4,5-dimethyl-benzenesulfonic acid

Systemtic Name: 2-(4,5-dimethyl-2-sulfo-phenyl)-4,5-dimethyl-benzenesulfonic acid Openeye Name: 2-(4,5-dimethyl-2-sulfo-phenyl)-4,5-dimethyl-benzenesulfonic acid CAS Name: 2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid IUPAC Name: 2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid Traditional Name: 2-(4,5-dimethyl-2-sulfo-phenyl)-4,5-dimethyl-besylic acid Formula: C16H18O6S2 MolecularWeight: 370.44052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC(=C(C=C2S(=O)(=O)O)C)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC(=C(C=C2S(=O)(=O)O)C)C)S(=O)(=O)O)C

InChI

InChI=1S/C16H18O6S2/c1-9-5-13(15(7-11(9)3)23(17,18)19)14-6-10(2)12(4)8-16(14)24(20,21)22/h5-8H,1-4H3,(H,17,18,19)(H,20,21,22)