2-methyl-5-(4-methyl-3-sulfo-phenyl)benzenesulfonic acid

Systemtic Name: 2-methyl-5-(4-methyl-3-sulfo-phenyl)benzenesulfonic acid Openeye Name: 2-methyl-5-(4-methyl-3-sulfo-phenyl)benzenesulfonic acid CAS Name: 2-methyl-5-(4-methyl-3-sulfophenyl)benzenesulfonic acid IUPAC Name: 2-methyl-5-(4-methyl-3-sulfophenyl)benzenesulfonic acid Traditional Name: 2-methyl-5-(4-methyl-3-sulfo-phenyl)besylic acid Formula: C14H14O6S2 MolecularWeight: 342.38736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O6S2/c1-9-3-5-11(7-13(9)21(15,16)17)12-6-4-10(2)14(8-12)22(18,19)20/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20)