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methyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoate

methyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoate

Systemtic Name:methyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoate
Openeye Name:methyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-nitro-benzoate
CAS Name:4-[(2-ethoxy-2-oxoethyl)thio]-3-nitrobenzoic acid methyl ester
IUPAC Name:methyl 4-(2-ethoxy-2-oxoethyl)sulfanyl-3-nitrobenzoate
Traditional Name:4-[(2-ethoxy-2-keto-ethyl)thio]-3-nitro-benzoic acid methyl ester
Formula: C12H13NO6S
MolecularWeight: 299.29972
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]


InChI

InChI=1S/C12H13NO6S/c1-3-19-11(14)7-20-10-5-4-8(12(15)18-2)6-9(10)13(16)17/h4-6H,3,7H2,1-2H3


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