(1E)-1-(phenylsulfanylmethyl)cyclododecene

Systemtic Name: (1E)-1-(phenylsulfanylmethyl)cyclododecene Openeye Name: (1E)-1-(phenylsulfanylmethyl)cyclododecene CAS Name: (1E)-1-[(phenylthio)methyl]cyclododecene IUPAC Name: (1E)-1-(phenylsulfanylmethyl)cyclododecene Traditional Name: (1E)-1-[(phenylthio)methyl]cyclododecene Formula: C19H28S MolecularWeight: 288.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=CCCCC1)CSC2=CC=CC=C2

Isomeric SMILES

C1CCCCC/C(=C\CCCC1)/CSC2=CC=CC=C2

InChI

InChI=1S/C19H28S/c1-2-4-6-9-13-18(14-10-7-5-3-1)17-20-19-15-11-8-12-16-19/h8,11-13,15-16H,1-7,9-10,14,17H2/b18-13+