Basic information
- Standard SMILES
CS(=O)(=O)OCCCOc1cc2oc(=O)ccc2cc1OC1CCCC1- InChIKey
SLXFBPVGSAIIGC-UHFFFAOYSA-N- Molecular formula
- C18H22O7S
- Average molar mass
- 382.4 g/mol
Names & identifiers
- Preferred name
- 6-(cyclo-pentyloxy)-7-[3-(methanesulfonyloxy)propoxy]-2H-1-benzopyran-2-one
- IUPAC
- 3-(6-cyclopentyloxy-2-oxochromen-7-yl)oxypropyl methanesulfonate
Names & synonyms
SCHEMBL8808950SLXFBPVGSAIIGC-UHFFFAOYSA-N6-(cyclo-pentyloxy)-7-[3-(methanesulfonyloxy)propoxy]-2H-1-benzopyran-2-one
Database identifiers
- PubChem CID
- 19927635
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 604
Related reactions
2 records
Compound notes
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