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heptan-2-ylsulfonylbenzene

heptan-2-ylsulfonylbenzene

Systemtic Name:heptan-2-ylsulfonylbenzene
Openeye Name:1-methylhexylsulfonylbenzene
CAS Name:heptan-2-ylsulfonylbenzene
IUPAC Name:heptan-2-ylsulfonylbenzene
Traditional Name:1-methylhexylsulfonylbenzene
Formula: C13H20O2S
MolecularWeight: 240.3617
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)S(=O)(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCC(C)S(=O)(=O)C1=CC=CC=C1


InChI

InChI=1S/C13H20O2S/c1-3-4-6-9-12(2)16(14,15)13-10-7-5-8-11-13/h5,7-8,10-12H,3-4,6,9H2,1-2H3


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