164078-85-7
Benzenesulfonic acid, 4-nitro-, [(1,1-dimethylethoxy)carbonyl]azanyl ester
NameBenzenesulfonic acid, 4-nitro-, [(1,1-dimethylethoxy)carbonyl]azanyl ester
1Identification
【Name】
Benzenesulfonic acid, 4-nitro-, [(1,1-dimethylethoxy)carbonyl]azanyl ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C11H14N2O7S
【MolWeight】
318.303
【Inchi】
InChI=1S/C11H14N2O7S/c1-11(2,3)19-10(14)12-20-21(17,18)9-6-4-8(5-7-9)13(15)16/h4-7H,1-3H3,(H,12,14)
【InChIKey】
InChIKey=BGVVWTQZRZEJIB-UHFFFAOYSA-N
【SMILES】
[N+](=O)([O-])C1=CC=C(C=C1)S(=O)(=O)ONC(=O)OC(C)(C)C
【MOL File】
Benzenesulfonic acid….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Benzenesulfonic acid, 4-nitro-, [(1,1-dimethylethoxy)carbonyl]azanyl ester.cml