2-(2-phenylsulfanylprop-2-enyl)cycloheptan-1-one

Systemtic Name: 2-(2-phenylsulfanylprop-2-enyl)cycloheptan-1-one Openeye Name: 2-(2-phenylsulfanylallyl)cycloheptanone CAS Name: 2-[2-(phenylthio)prop-2-enyl]-1-cycloheptanone IUPAC Name: 2-(2-phenylsulfanylprop-2-enyl)cycloheptan-1-one Traditional Name: 2-[2-(phenylthio)allyl]cycloheptanone Formula: C16H20OS MolecularWeight: 260.3944

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC1CCCCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

C=C(CC1CCCCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C16H20OS/c1-13(18-15-9-5-3-6-10-15)12-14-8-4-2-7-11-16(14)17/h3,5-6,9-10,14H,1-2,4,7-8,11-12H2