Basic information
- CAS
25158-37-6- Standard SMILES
CCCCCCCCCCCCOS(=O)(=O)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
ZPDWLYNZGQJXIE-UHFFFAOYSA-N- Molecular formula
- C32H38N2O8S2
- Average molar mass
- 642.8 g/mol
- Monoisotopic mass
- 642.20695852
Names & identifiers
- Preferred name
- 1-Amino-4-(4-dodecylsulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- IUPAC
- 1-amino-4-(4-dodecoxysulfonylanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-4-(4-dodecylsulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C32H38N2O8S2
- Molecular weight
- 642.78272
Names & synonyms
1-Amino-4-(4-dodecylsulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidDTXSID20948016ZPDWLYNZGQJXIE-UHFFFAOYSA-NEINECS 246-683-0NSC 2954431-Amino-4-{4-[(dodecyloxy)sulfonyl]anilino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acidNsc2954431-Amino-4-[(4-dodecylsulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
Database identifiers
- CAS
25158-37-6- PubChem CID
- 91309
- DTXSID
DTXSID20948016- EC Number
- 246-683-0
- Nikkaji
- J263.364G
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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