sodium 2-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]benzenesulfonic acid

Systemtic Name: sodium 2-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]benzenesulfonic acid Openeye Name: sodium 2-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]benzenesulfonic acid CAS Name: sodium 2-[bis[4-(diethylamino)-2-methylphenyl]methyl]benzenesulfonic acid IUPAC Name: sodium 2-[bis[4-(diethylamino)-2-methylphenyl]methyl]benzenesulfonic acid Traditional Name: sodium 2-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]besylic acid Formula: C29H38N2NaO3S+ MolecularWeight: 517.67839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O3S.Na/c1-7-30(8-2)23-15-17-25(21(5)19-23)29(27-13-11-12-14-28(27)35(32,33)34)26-18-16-24(20-22(26)6)31(9-3)10-4;/h11-20,29H,7-10H2,1-6H3,(H,32,33,34);/q;+1