Basic information
- CAS
41134-84-3- Standard SMILES
COc1ccc(Sc2cccc3c2C(C)(O)c2c(Sc4ccc(OC)cc4)cccc2C3(C)O)cc1- InChIKey
CCYFSVSJVUFYIM-UHFFFAOYSA-N- Molecular formula
- C30H28O4S2
- Average molar mass
- 516.7 g/mol
- Monoisotopic mass
- 516.14290172
Names & identifiers
- Preferred name
- 1,8-Bis[(4-methoxyphenyl)sulfanyl]-9,10-dimethyl-9,10-dihydroanthracene-9,10-diol
- IUPAC
- 1,8-bis[(4-methoxyphenyl)sulfanyl]-9,10-dimethylanthracene-9,10-diol
Names & synonyms
41134-84-31,8-bis[(4-methoxyphenyl)sulfanyl]-9,10-dimethyl-9,10-dihydroanthracene-9,10-diolNSC156521DTXSID70303075NSC-156521
Database identifiers
- CAS
41134-84-3- PubChem CID
- 291334
- DTXSID
DTXSID70303075
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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