3,7-dimethyl-6-(phenylsulfinyl)oct-7-enenitrile

Systemtic Name: 3,7-dimethyl-6-(phenylsulfinyl)oct-7-enenitrile Openeye Name: 6-(benzenesulfinyl)-3,7-dimethyl-oct-7-enenitrile CAS Name: 6-(benzenesulfinyl)-3,7-dimethyl-7-octenenitrile IUPAC Name: 6-(benzenesulfinyl)-3,7-dimethyloct-7-enenitrile Traditional Name: 6-(benzenesulfinyl)-3,7-dimethyl-oct-7-enenitrile Formula: C16H21NOS MolecularWeight: 275.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(=C)C)S(=O)C1=CC=CC=C1)CC#N

Isomeric SMILES

CC(CCC(C(=C)C)S(=O)C1=CC=CC=C1)CC#N

InChI

InChI=1S/C16H21NOS/c1-13(2)16(10-9-14(3)11-12-17)19(18)15-7-5-4-6-8-15/h4-8,14,16H,1,9-11H2,2-3H3