Formula |
C19H29NO4S2 |
IUPAC Name |
5-(dodecyldisulfanyl)-2-nitro-benzoic acid |
Molecular Mass |
399.568 g·mol−1 |
Heat of Formation |
-533.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.06 ± 1.08 D |
Volume |
496.82 Å 3 |
Surface Area |
390.73 Å 2 |
HOMO Energy |
-9.29 ± 0.55 eV |
LUMO Energy |
1.07 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-(dodecyldithio)-2-nitrobenzoic acid
- 5-dodecyldisulfanyl-2-nitro-benzoic acid
- 5-lauryldisulfanyl-2-nitro-benzoic acid
- benzoic acid, 5-(dodecyldithio)-2-nitro-
- c12-tnb
- dodecyldithio-5-(2-nitrobenzoic acid)
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CAS Number(s) |
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InChIKey |
LNGWGYPBWOQGGM-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
O
N
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