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methyl 3-nitro-4-propan-2-ylsulfanyl-benzoate

methyl 3-nitro-4-propan-2-ylsulfanyl-benzoate

Systemtic Name:methyl 3-nitro-4-propan-2-ylsulfanyl-benzoate
Openeye Name:methyl 4-isopropylsulfanyl-3-nitro-benzoate
CAS Name:3-nitro-4-(propan-2-ylthio)benzoic acid methyl ester
IUPAC Name:methyl 3-nitro-4-propan-2-ylsulfanylbenzoate
Traditional Name:4-(isopropylthio)-3-nitro-benzoic acid methyl ester
Formula: C11H13NO4S
MolecularWeight: 255.29022
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]


Isomeric SMILES

CC(C)SC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]


InChI

InChI=1S/C11H13NO4S/c1-7(2)17-10-5-4-8(11(13)16-3)6-9(10)12(14)15/h4-7H,1-3H3


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