Basic information
- Standard SMILES
CC1=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2C1(C)C.[Na+].[Na+]- InChIKey
SLTIMSZYJVXLGN-UHFFFAOYSA-L- Molecular formula
- C18H19NNa2O9S3
- Average molar mass
- 535.5 g/mol
- Monoisotopic mass
- 535.00173327
Names & identifiers
- Preferred name
- Sodium 1,1,2-Trimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-6,8-disulfonate
- IUPAC
- disodium;1,1,2-trimethyl-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-6,8-disulfonate
Names & synonyms
SCHEMBL634844SLTIMSZYJVXLGN-UHFFFAOYSA-LSodium 1,1,2-Trimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-6,8-disulfonate
Database identifiers
- PubChem CID
- 86649205
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
4 records
Compound notes
Loading…