2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfo-phenyl]carbonyl-benzenesulfonic acid

Systemtic Name: 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfo-phenyl]carbonyl-benzenesulfonic acid Openeye Name: 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfo-benzoyl]benzenesulfonic acid CAS Name: 2-(dimethylamino)-5-[[4-(dimethylamino)-3-sulfophenyl]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfobenzoyl]benzenesulfonic acid Traditional Name: 2-(dimethylamino)-5-[4-(dimethylamino)-3-sulfo-benzoyl]besylic acid Formula: C17H20N2O7S2 MolecularWeight: 428.4799

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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

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

InChI

InChI=1S/C17H20N2O7S2/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)