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Basic information
- Standard SMILES
COc1cc(C=C2CCCC(=Cc3ccc(OC(=O)CCCCC4CCSS4)c(OC)c3)C2=O)ccc1OC(=O)CCCCC1CCSS1- InChIKey
MXHCYEXTUGNNNW-UHFFFAOYSA-N- Molecular formula
- C38H46O7S4
- Average molar mass
- 743 g/mol
- Monoisotopic mass
- 742.2126385
Names & identifiers
- Preferred name
- [4-[[3-[[4-[5-(Dithiolan-3-yl)pentanoyloxy]-3-methoxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]-2-methoxyphenyl] 5-(dithiolan-3-yl)pentanoate
- IUPAC
- [4-[[3-[[4-[5-(dithiolan-3-yl)pentanoyloxy]-3-methoxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]-2-methoxyphenyl] 5-(dithiolan-3-yl)pentanoate
Names & synonyms
NCI60_037658
Database identifiers
- PubChem CID
- 397498
Properties
Computed structural propertiesFilling in
- XLogP
- 8.3
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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