disodium 2-methyl-5-(4-methyl-3-sulfonato-phenyl)benzenesulfonate

Systemtic Name: disodium 2-methyl-5-(4-methyl-3-sulfonato-phenyl)benzenesulfonate Openeye Name: disodium 2-methyl-5-(4-methyl-3-sulfonato-phenyl)benzenesulfonate CAS Name: disodium 2-methyl-5-(4-methyl-3-sulfonatophenyl)benzenesulfonate IUPAC Name: disodium 2-methyl-5-(4-methyl-3-sulfonatophenyl)benzenesulfonate Traditional Name: disodium 2-methyl-5-(4-methyl-3-sulfonato-phenyl)besylate Formula: C14H12Na2O6S2 MolecularWeight: 386.35102

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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-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C14H14O6S2.2Na/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);;/q;2*+1/p-2