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(4,5-dimethyl-2-nitro-phenyl)methyl 4-methylbenzenesulfonate

(4,5-dimethyl-2-nitro-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name:(4,5-dimethyl-2-nitro-phenyl)methyl 4-methylbenzenesulfonate
Openeye Name:(4,5-dimethyl-2-nitro-phenyl)methyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid (4,5-dimethyl-2-nitrophenyl)methyl ester
IUPAC Name:(4,5-dimethyl-2-nitrophenyl)methyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid (4,5-dimethyl-2-nitro-benzyl) ester
Formula: C16H17NO5S
MolecularWeight: 335.37488
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]


InChI

InChI=1S/C16H17NO5S/c1-11-4-6-15(7-5-11)23(20,21)22-10-14-8-12(2)13(3)9-16(14)17(18)19/h4-9H,10H2,1-3H3


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