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Basic information
- Standard SMILES
CC1(C)CCC(C)(C)c2cc(Cc3cccs3)c(/C=C/c3ccc(C(=O)O)cc3)cc21- InChIKey
VFVVRLKFQBNMRM-FMIVXFBMSA-N- Molecular formula
- C28H30O2S
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.19665137
Names & identifiers
- Preferred name
- 4-[(E)-2-(5,5,8,8-tetramethyl-3-thiophen-2ylmethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)vinyl]benzoic acid
- IUPAC
- 4-[(E)-2-[5,5,8,8-tetramethyl-3-(thiophen-2-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
Names & synonyms
SCHEMBL4667016VFVVRLKFQBNMRM-FMIVXFBMSA-N4-[(E)-2-(5,5,8,8-tetramethyl-3-thiophen-2ylmethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)vinyl]benzoic acid
Database identifiers
- PubChem CID
- 10113541
Properties
Computed structural propertiesFilling in
- XLogP
- 8.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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