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

Systemtic Name: 4-methyl-3-(2-methyl-5-sulfo-phenoxy)benzenesulfonic acid Openeye Name: 4-methyl-3-(2-methyl-5-sulfo-phenoxy)benzenesulfonic acid CAS Name: 4-methyl-3-(2-methyl-5-sulfophenoxy)benzenesulfonic acid IUPAC Name: 4-methyl-3-(2-methyl-5-sulfophenoxy)benzenesulfonic acid Traditional Name: 4-methyl-3-(2-methyl-5-sulfo-phenoxy)besylic acid Formula: C14H14O7S2 MolecularWeight: 358.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)OC2=C(C=CC(=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)OC2=C(C=CC(=C2)S(=O)(=O)O)C

InChI

InChI=1S/C14H14O7S2/c1-9-3-5-11(22(15,16)17)7-13(9)21-14-8-12(23(18,19)20)6-4-10(14)2/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20)