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phenyl 5-cyanopentane-1-sulfonate

phenyl 5-cyanopentane-1-sulfonate

Systemtic Name:phenyl 5-cyanopentane-1-sulfonate
Openeye Name:phenyl 5-cyanopentane-1-sulfonate
CAS Name:5-cyano-1-pentanesulfonic acid
IUPAC Name:phenyl 5-cyanopentane-1-sulfonate
Traditional Name:5-cyanopentane-1-sulfonic acid phenyl ester
Formula: C12H15NO3S
MolecularWeight: 253.3174
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCCCCC#N


Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCCCCC#N


InChI

InChI=1S/C12H15NO3S/c13-10-6-1-2-7-11-17(14,15)16-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,11H2


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