Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)CSCc1c(O)ccc2c1CCCC2=O- InChIKey
IUVFODKLYJPTSL-UHFFFAOYSA-N- Molecular formula
- C14H16O4S
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.07693016
Names & identifiers
- Preferred name
- (2-Hydroxy-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-ylmethylsulfanyl)acetic acid methyl ester
- IUPAC
- methyl 2-[(2-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methylsulfanyl]acetate
Names & synonyms
SCHEMBL6306165IUVFODKLYJPTSL-UHFFFAOYSA-N(2-Hydroxy-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-ylmethylsulfanyl)acetic acid methyl ester(2-Hydroxy-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-ylmethylsulfanyl)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 69736804
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
2 records
Compound notes
Loading…