5-[6-(4,5-Dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylhexylsulfanyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
68160-31-6- Standard SMILES
COC1=C(OC)C(=O)C(SCCCCCCSC2=CC(=O)C(OC)=C(OC)C2=O)=CC1=O- InChIKey
OTIIEUOEOQLVRB-UHFFFAOYSA-N- Molecular formula
- C22H26O8S2
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.10691013
Names & identifiers
- Preferred name
- 5-[6-(4,5-Dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylhexylsulfanyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 5-[6-(4,5-dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylhexylsulfanyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
68160-31-6NSC2926815-[6-(4,5-dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylhexylsulfanyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dioneDTXSID40315165NSC-2926812,4-dione, 2,2'-[1,6-hexanediyl- bis(thio)bis[5,6-dimethoxy-2,2'-[Hexane-1,6-diylbis(sulfanediyl)]bis(5,6-dimethoxycyclohexa-2,5-diene-1,4-dione)
Database identifiers
- CAS
68160-31-6- PubChem CID
- 325084
- DTXSID
DTXSID40315165
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 837
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Compound notes
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