2-(((3-(2-(8-(((2-Ethoxyethoxy)carbonyl)amino)-2-hydroxy-1-naphthalenyl)diazenyl)-4-hydroxyphenyl)sulfonyl)amino)benzenesulfonic acid
Basic information
- CAS
71873-52-4- Standard SMILES
CCOCCOC(=O)Nc1cccc2ccc(O)c(N=Nc3cc(S(=O)(=O)Nc4ccccc4S(=O)(=O)O)ccc3O)c12- InChIKey
PCDRETLTVPXVRN-UHFFFAOYSA-N- Molecular formula
- C27H26N4O10S2
- Average molar mass
- 630.6 g/mol
- Monoisotopic mass
- 630.10903539
Names & identifiers
- Preferred name
- 2-(((3-(2-(8-(((2-Ethoxyethoxy)carbonyl)amino)-2-hydroxy-1-naphthalenyl)diazenyl)-4-hydroxyphenyl)sulfonyl)amino)benzenesulfonic acid
- IUPAC
- 2-[[3-[[8-(2-ethoxyethoxycarbonylamino)-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxyphenyl]sulfonylamino]benzenesulfonic acid
- English name
- 2-[[[3-[[8-[[(2-Ethoxyethoxy)carbonyl]amino]-2-hydroxy-1-naphthalenyl]azo]-4-hydroxyphenyl]sulfonyl]amino]benzenesulfonic acid
- Molecular formula
- C27H26N4O10S2
- Molecular weight
- 630.65
Names & synonyms
71873-52-42-(((3-(2-(8-(((2-Ethoxyethoxy)carbonyl)amino)-2-hydroxy-1-naphthalenyl)diazenyl)-4-hydroxyphenyl)sulfonyl)amino)benzenesulfonic acid2-[[[3-[2-[8-[[(2-Ethoxyethoxy)carbonyl]amino]-2-hydroxy-1-naphthalenyl]diazenyl]-4-hydroxyphenyl]sulfonyl]amino]benzenesulfonic acidRefChem:249052Benzenesulfonic acid, 2-[[[3-[[8-[[(2-ethoxyethoxy)carbonyl]amino]-2-hydroxy-1-naphthalenyl]azo]-4-hydroxyphenyl]sulfonyl]amino]-Benzenesulfonic acid, 2-(((3-((8-(((2-ethoxyethoxy)carbonyl)amino)-2-hydroxy-1-naphthalenyl)azo)-4-hydroxyphenyl)sulfonyl)amino)-Benzenesulfonic acid, 2-(((3-(2-(8-(((2-ethoxyethoxy)carbonyl)amino)-2-hydroxy-1-naphthalenyl)diazenyl)-4-hydroxyphenyl)sulfonyl)amino)-DTXSID4072449PCDRETLTVPXVRN-UHFFFAOYSA-N2-{3-[(8-{[(2-Ethoxyethoxy)carbonyl]amino}-2-hydroxynaphthalen-1-yl)diazenyl]-4-hydroxybenzene-1-sulfonamido}benzene-1-sulfonic acid2-[[[3-[[8-[[(2-Ethoxyethoxy)carbonyl]amino]-2-hydroxy-1-naphthalenyl]azo]-4-hydroxyphenyl]sulfonyl]amino]benzenesulfonic acid
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,160
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2-[[[3-[[8-[[(2-ethoxyethoxy)carbonyl]amino]-2-hydroxy-1-naphthalenyl]azo]-4-hydroxyphenyl]sulfonyl]amino]- (71873-52-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2-[[[3-[2-[8-[[(2-ethoxyethoxy)carbonyl]amino]-2-hydroxy-1-naphthalenyl]diazenyl]-4-hydroxyphenyl]sulfonyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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