disodium 2-methyl-5-[(3-methyl-5-sulfonato-phenyl)carbonylamino]benzenesulfonate

Systemtic Name: disodium 2-methyl-5-[(3-methyl-5-sulfonato-phenyl)carbonylamino]benzenesulfonate Openeye Name: disodium 2-methyl-5-[(3-methyl-5-sulfonato-benzoyl)amino]benzenesulfonate CAS Name: disodium 2-methyl-5-[[(3-methyl-5-sulfonatophenyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: disodium 2-methyl-5-[(3-methyl-5-sulfonatobenzoyl)amino]benzenesulfonate Traditional Name: disodium 2-methyl-5-[(3-methyl-5-sulfonato-benzoyl)amino]besylate Formula: C15H13NNa2O7S2 MolecularWeight: 429.37576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO7S2.2Na/c1-9-5-11(7-13(6-9)24(18,19)20)15(17)16-12-4-3-10(2)14(8-12)25(21,22)23;;/h3-8H,1-2H3,(H,16,17)(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2