3H-Indolium, 2-[2-[(4-ethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (2:1)
Basic information
- CAS
73398-80-8- Standard SMILES
CCOc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.CCOc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.O=S(=O)([O-])[O-]- InChIKey
OWCDKCFWLXPRHY-UHFFFAOYSA-N- Molecular formula
- C42H50N4O6S
- Average molar mass
- 738.9 g/mol
- Monoisotopic mass
- 738.3451065
Names & identifiers
- Preferred name
- 3H-Indolium, 2-[2-[(4-ethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (2:1)
- IUPAC
- bis(4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline);sulfate
Names & synonyms
73398-80-8DTXSID70727533H-Indolium, 2-(2-((4-ethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-, sulfate3H-Indolium, 2-(2-((4-ethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-, sulfate (2:1)3H-Indolium, 2-[2-[(4-ethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (2:1)RefChem:95775DTXCID0047535Bis{2-[2-(4-ethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium} sulfate
Database identifiers
- CAS
73398-80-8- PubChem CID
- 44150910
- DTXSID
DTXSID7072753
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 548
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Indolium, 2-[2-[(4-ethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (2:1): INACTIVE
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Compound notes
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