disodium 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfonato-phenyl]carbonyl-benzenesulfonate

Systemtic Name: disodium 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfonato-phenyl]carbonyl-benzenesulfonate Openeye Name: disodium 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfonato-benzoyl]benzenesulfonate CAS Name: disodium 2-(dimethylamino)-5-[[4-(dimethylamino)-3-sulfonatophenyl]-oxomethyl]benzenesulfonate IUPAC Name: disodium 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfonatobenzoyl]benzenesulfonate Traditional Name: disodium 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfonato-benzoyl]besylate Formula: C17H18N2Na2O7S2 MolecularWeight: 472.44356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S2.2Na/c1-18(2)13-7-5-11(9-15(13)27(21,22)23)17(20)12-6-8-14(19(3)4)16(10-12)28(24,25)26;;/h5-10H,1-4H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2