disodium 3-methyl-5-(3-methyl-5-sulfonato-phenoxy)benzenesulfonate

Systemtic Name: disodium 3-methyl-5-(3-methyl-5-sulfonato-phenoxy)benzenesulfonate Openeye Name: disodium 3-methyl-5-(3-methyl-5-sulfonato-phenoxy)benzenesulfonate CAS Name: disodium 3-methyl-5-(3-methyl-5-sulfonatophenoxy)benzenesulfonate IUPAC Name: disodium 3-methyl-5-(3-methyl-5-sulfonatophenoxy)benzenesulfonate Traditional Name: disodium 3-methyl-5-(3-methyl-5-sulfonato-phenoxy)besylate Formula: C14H12Na2O7S2 MolecularWeight: 402.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)[O-])OC2=CC(=CC(=C2)C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)[O-])OC2=CC(=CC(=C2)C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

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