2-[Bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]benzenesulfonic acid
CAS Registry Number®
68155-73-7
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CAS Name
2-[Bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]benzenesulfonic acidMolecular Formula
C37H38N2O9S3Molecular Mass
750.90Cite this Page
2-[Bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]benzenesulfonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=68155-73-7 (retrieved ) (CAS RN: 68155-73-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H38N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24,37H,3-4,25-26H2,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)
InChIKey
InChIKey=QNOYBCOEQMOHFR-UHFFFAOYSA-N
SMILES
C(C1=C(S(=O)(=O)O)C=CC=C1)(C2=CC=C(N(CC3=CC(S(=O)(=O)O)=CC=C3)CC)C=C2)C4=CC=C(N(CC5=CC(S(=O)(=O)O)=CC=C5)CC)C=C4
Canonical SMILES
O=S(=O)(O)C=1C=CC=C(C1)CN(C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(CC4=CC=CC(=C4)S(=O)(=O)O)CC)C=5C=CC=CC5S(=O)(=O)O)CC
Other Names for this Substance
- Benzenesulfonic acid, 2-[bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]-
- 2-[Bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]benzenesulfonic acid
