6-[(E)-1-bromanylbut-2-enyl]-7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromene

Systemtic Name: 6-[(E)-1-bromanylbut-2-enyl]-7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromene Openeye Name: 6-[(E)-1-bromobut-2-enyl]-7-heptoxy-4,4-dimethyl-thiochromane CAS Name: 6-[(E)-1-bromobut-2-enyl]-7-heptoxy-4,4-dimethyl-2,3-dihydro-1-benzothiopyran IUPAC Name: 6-[(E)-1-bromobut-2-enyl]-7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromene Traditional Name: 6-[(E)-1-bromobut-2-enyl]-7-heptoxy-4,4-dimethyl-thiochroman Formula: C22H33BrOS MolecularWeight: 425.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C(=C1)SCCC2(C)C)C(C=CC)Br

Isomeric SMILES

CCCCCCCOC1=C(C=C2C(=C1)SCCC2(C)C)C(/C=C/C)Br

InChI

InChI=1S/C22H33BrOS/c1-5-7-8-9-10-13-24-20-16-21-18(22(3,4)12-14-25-21)15-17(20)19(23)11-6-2/h6,11,15-16,19H,5,7-10,12-14H2,1-4H3/b11-6+