Formula |
C22H16N2O7S3 |
IUPAC Name |
n-[4-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]benzamide |
Molecular Mass |
516.567 g·mol−1 |
Heat of Formation |
-721.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.83 ± 1.08 D |
Volume |
542.44 Å 3 |
Surface Area |
471.92 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
2.63 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]-5-(phenylcarbonylamino)benzenesulfonic acid
- 2-[(e)-2-(4-isothiocyanato-2-sulfophenyl)vinyl]-5-[(oxo-phenylmethyl)amino]benzenesulfonic acid
- 4-benzamido-4'-isothiocyanostilbene-2,2'-disulfonate
- 5-(benzoylamino)-2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid
- 5-(benzoylamino)-2-[(e)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
- benzenesulfonic acid, 5-(benzoylamino)-2-(2-(4-isothiocyanato-2-sulfophenyl)ethenyl)-
- bids
|
CAS Number(s) |
|
InChIKey |
QOTXRSSBQIHQPW-VOTSOKGWSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
O
N
|
|
|