6-Phenylamino-naphthalene-2-sulfonic acid anion | SBID = 408 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 77.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | -1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 224.3 | ||
| Sum Formula: | C16H12NO3S- | ||
| M / g/mol: | 298.336 | ||
| Complexity: | 426.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, anion, typical guest, charged
- Name: 6-Phenylamino-naphthalene-2-sulfonic acid anion
- Preferred Abbreviation: 2,6-ANS
- IUPAC Name: 6-anilinonaphthalene-2-sulfonate
- CAS: 20096-86-0
- CID: 3081449
- InChiKey: DTFZXNJFEIZTJR-UHFFFAOYSA-M
- InChi: InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h1-11,17H,(H,18,19,20)/p-1
- CanoSmiles: C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-]
- IsoSmiles: C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-]
