[4-[7-[4-[5-(Dithiolan-3-yl)pentanoyloxy]-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] 5-(dithiolan-3-yl)pentanoate
Basic information
- Standard SMILES
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OC(=O)CCCCC3CCSS3)c(OC)c2)ccc1OC(=O)CCCCC1CCSS1- InChIKey
DPVWJNIHOZALNN-UHFFFAOYSA-N- Molecular formula
- C37H44O8S4
- Average molar mass
- 745 g/mol
- Monoisotopic mass
- 744.19190305
Names & identifiers
- Preferred name
- [4-[7-[4-[5-(Dithiolan-3-yl)pentanoyloxy]-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] 5-(dithiolan-3-yl)pentanoate
- IUPAC
- [4-[7-[4-[5-(dithiolan-3-yl)pentanoyloxy]-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] 5-(dithiolan-3-yl)pentanoate
Names & synonyms
NCI60_037657
Database identifiers
- PubChem CID
- 397497
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 22
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,030
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Related reactions
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Compound notes
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