2-methyl-5-[(3-methyl-5-sulfo-phenyl)carbonylamino]benzenesulfonic acid

Systemtic Name: 2-methyl-5-[(3-methyl-5-sulfo-phenyl)carbonylamino]benzenesulfonic acid Openeye Name: 2-methyl-5-[(3-methyl-5-sulfo-benzoyl)amino]benzenesulfonic acid CAS Name: 2-methyl-5-[[(3-methyl-5-sulfophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-methyl-5-[(3-methyl-5-sulfobenzoyl)amino]benzenesulfonic acid Traditional Name: 2-methyl-5-[(3-methyl-5-sulfo-benzoyl)amino]besylic acid Formula: C15H15NO7S2 MolecularWeight: 385.4121

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO7S2/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)