disodium 2-methyl-3-(2-methyl-3-sulfonato-phenoxy)benzenesulfonate

Systemtic Name: disodium 2-methyl-3-(2-methyl-3-sulfonato-phenoxy)benzenesulfonate Openeye Name: disodium 2-methyl-3-(2-methyl-3-sulfonato-phenoxy)benzenesulfonate CAS Name: disodium 2-methyl-3-(2-methyl-3-sulfonatophenoxy)benzenesulfonate IUPAC Name: disodium 2-methyl-3-(2-methyl-3-sulfonatophenoxy)benzenesulfonate Traditional Name: disodium 2-methyl-3-(2-methyl-3-sulfonato-phenoxy)besylate Formula: C14H12Na2O7S2 MolecularWeight: 402.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)[O-])OC2=C(C(=CC=C2)S(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)[O-])OC2=C(C(=CC=C2)S(=O)(=O)[O-])C.[Na+].[Na+]

InChI

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