Basic information
- Standard SMILES
CCc1cc(C)c(S(=O)(=O)O)c(CC)c1Nc1cc(Oc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
SSWSQZUBCCOWJV-UHFFFAOYSA-N- Molecular formula
- C31H28N2O6S
- Average molar mass
- 556.6 g/mol
- Monoisotopic mass
- 556.16680779
Names & identifiers
- Preferred name
- 3-[(4-Amino-9,10-dioxo-3-phenoxyanthracen-1-yl)amino]-2,4-diethyl-6-methylbenzenesulfonic acid
- IUPAC
- 3-[(4-amino-9,10-dioxo-3-phenoxyanthracen-1-yl)amino]-2,4-diethyl-6-methylbenzenesulfonic acid
Database identifiers
- PubChem CID
- 166318
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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