disodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(2-sulfophenyl)methyl]benzenesulfonic acid

Systemtic Name: disodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(2-sulfophenyl)methyl]benzenesulfonic acid Openeye Name: disodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(2-sulfophenyl)methyl]benzenesulfonic acid CAS Name: disodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(2-sulfophenyl)methyl]benzenesulfonic acid IUPAC Name: disodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(2-sulfophenyl)methyl]benzenesulfonic acid Traditional Name: disodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(2-sulfophenyl)methyl]besylic acid Formula: C23H26N2Na2O6S2+2 MolecularWeight: 536.57188

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=C(C=C(C=C2)N(C)C)S(=O)(=O)O)C3=CC=CC=C3S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=C(C=C(C=C2)N(C)C)S(=O)(=O)O)C3=CC=CC=C3S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C23H26N2O6S2.2Na/c1-24(2)17-11-9-16(10-12-17)23(19-7-5-6-8-21(19)32(26,27)28)20-14-13-18(25(3)4)15-22(20)33(29,30)31;;/h5-15,23H,1-4H3,(H,26,27,28)(H,29,30,31);;/q;2*+1