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4-(cyanomethylsulfonylmethyl)benzoate

4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name:4-(cyanomethylsulfonylmethyl)benzoate
Openeye Name:4-(cyanomethylsulfonylmethyl)benzoate
CAS Name:4-(cyanomethylsulfonylmethyl)benzoate
IUPAC Name:4-(cyanomethylsulfonylmethyl)benzoate
Traditional Name:4-(cyanomethylsulfonylmethyl)benzoate
Formula: C10H8NO4S-
MolecularWeight: 238.23982
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CC#N)C(=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CC#N)C(=O)[O-]


InChI

InChI=1S/C10H9NO4S/c11-5-6-16(14,15)7-8-1-3-9(4-2-8)10(12)13/h1-4H,6-7H2,(H,12,13)/p-1


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