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(4-methylsulfanylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

(4-methylsulfanylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name:(4-methylsulfanylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate
Openeye Name:(4-methylsulfanylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate
CAS Name:6-nitro-1,3-benzodioxole-5-carboxylic acid [4-(methylthio)phenyl]methyl ester
IUPAC Name:(4-methylsulfanylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate
Traditional Name:6-nitro-piperonylic acid [4-(methylthio)benzyl] ester
Formula: C16H13NO6S
MolecularWeight: 347.34252
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3


Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3


InChI

InChI=1S/C16H13NO6S/c1-24-11-4-2-10(3-5-11)8-21-16(18)12-6-14-15(23-9-22-14)7-13(12)17(19)20/h2-7H,8-9H2,1H3


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