Basic information
- Standard SMILES
CC1=Nc2ccc(S(=O)(=O)O)cc2C1(C)CCCCCC(=O)O- InChIKey
GHCMZZOTVCLUBS-UHFFFAOYSA-N- Molecular formula
- C16H21NO5S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.11404394
Names & identifiers
- Preferred name
- 6-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)hexanoic acid
- IUPAC
- 6-(2,3-dimethyl-5-sulfoindol-3-yl)hexanoic acid
Names & synonyms
407627-51-46-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)hexanoic acid2,3-dimethyl-5-sulfo-3H-Indole-3-hexanoic acid3H-Indole-3-hexanoic acid, 2,3-dimethyl-5-sulfo-3H-Indole-3-hexanoic acid, 2,3-dimethyl-5-sulfo-MFCD129233103-(5-carboxypentyl)-2,3-dimethyl-5-sulfoindolium inner saltSCHEMBL881201GHCMZZOTVCLUBS-UHFFFAOYSA-NHRA62751SY490091DB-014821
Show more names
F152526-(2,3-dimethyl-5-sulfo-indol-3-yl)hexanoic acid6-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)hexanoicacid
Database identifiers
- PubChem CID
- 59855422
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 580
Related reactions
7 records
Compound notes
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