Basic information
- CAS
204864-54-0- Standard SMILES
COC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1- InChIKey
LSBDJGANJWONSP-UHFFFAOYSA-N- Molecular formula
- C25H26Cl2O8
- Average molar mass
- 525.4 g/mol
- Monoisotopic mass
- 524.1004732
Names & identifiers
- Preferred name
- Adam II
- IUPAC
- methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-6-methoxy-6-oxohex-1-enyl]-2-methoxybenzoate
Names & synonyms
ADAM II204864-54-0NSC 695574Adam-IIKXWJVSIVFBUNII-KXWJVSIVFBmethyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-6-methoxy-6-oxohex-1-enyl]-2-methoxybenzoatedimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-chloro-6-methoxybenzoate)CHEMBL294840NSC695574Methyl 3',3''-dichloro-4',4''-dimethoxy-5',5''-bis(methoxycarbonyl)-6,6-diphenylhexenoateNSC-695574
Show more names
Benzoic acid, 3,3'-(6-methoxy-6-oxo-1-hexenylidene)bis(5-chloro-6-methoxy-, dimethyl esterBenzoic acid, 3,3'-(6-methoxy-6-oxo-1-hexenylidene)bis[5-chloro-6-methoxy-, dimethyl esterBDBM2753orb1695850SCHEMBL14041153SCHEMBL29456983Alkenyldiarylmethanes (ADAM) 22DTXSID00174457
Database identifiers
- CAS
204864-54-0- PubChem CID
- 393516
- DTXSID
DTXSID00174457- ChEMBL
CHEMBL294840- UNII
- KXWJVSIVFB
- Nikkaji
- J1.206.833F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 710
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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