2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9,10-dioxo-
Basic information
- CAS
10150-26-2- Standard SMILES
COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
DAWSNWWSQZPXHP-UHFFFAOYSA-N- Molecular formula
- C23H20N2O12S3
- Average molar mass
- 612.6 g/mol
- Monoisotopic mass
- 612.0178376
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9,10-dioxo-
- IUPAC
- 1-amino-4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-Amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid
- Molecular formula
- C23H20N2O12S3
- Molecular weight
- 612.61
Names & synonyms
DTXSID90649742-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9,10-dioxo-2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-9,10-dioxo-RefChem:465328DTXCID603264110150-26-2DAWSNWWSQZPXHP-UHFFFAOYSA-N1-amino-4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acidSCHEMBL132873781-Amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9,10-dioxo-2-anthrac1-Amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9,10-dioxo-2-anthracenesulfonic acidNS00040584
Show more names
1-Amino-4-{2-methoxy-5-[2-(sulfooxy)ethanesulfonyl]anilino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,290
Physicochemical properties
- Density
- 1.714 · 1.714±0.06 g/cm3(Predicted)
- pka
- -3.84 · -3.84±0.18(Predicted)
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9,10-dioxo- (10150-26-2)
- 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 Information2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9,10-dioxo-: INACTIVE
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Related reactions
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Compound notes
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