sodium {4-[(4-ethoxyphenyl)amino]phenyl}bis(4-{ethyl[(3-sulfonatophenyl)methyl]amino}-2-methylphenyl)methylium

CAS: 6104-58-1

Formula: C47H48N3NaO7S2

SMILES: [Na+].CCOC1=CC=C(NC2=CC=C(C=C2)[C+](C2=CC=C(C=C2C)N(CC)CC2=CC=CC(=C2)S([O-])(=O)=O)C2=CC=C(C=C2C)N(CC)CC2=CC=CC(=C2)S([O-])(=O)=O)C=C1

IUPAC: sodium {4-[(4-ethoxyphenyl)amino]phenyl}bis(4-{ethyl[(3-sulfonatophenyl)methyl]amino}-2-methylphenyl)methylium

InChI: InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30,48H,6-8,31-32H2,1-5H3,(H-,51,52,53,5

Composition: C (66.10%), H (5.67%), N (4.92%), Na (2.69%), O (13.11%), S (7.51%)

Molar Mass: 854.02

Atom Count: 108

Heavy Atom Count: 60