Basic information
- Standard SMILES
CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(OC)c(C)c1C- InChIKey
HQMNCQVAMBCHCO-UHFFFAOYSA-N- Molecular formula
- C23H30O3
- Average molar mass
- 354.5 g/mol
Overview
See also: Etretinate (annotation moved to).
Names & identifiers
- Preferred name
- 9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
- IUPAC
- ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Names & synonyms
9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl esterAcitretin Acid Impurity BSCHEMBL4402571HQMNCQVAMBCHCO-UHFFFAOYSA-NKXB23713s4699AKOS030228516DB00926Q271664209-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid ethyl esterethyl 9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoateethyl 9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
Show more names
9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid ethyl ester
Database identifiers
- PubChem CID
- 3312
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Related reactions
8 records
Compound notes
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