1-[(E)-7-bromanyl-3-methoxy-1-methylsulfanyl-hept-1-enyl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(E)-7-bromanyl-3-methoxy-1-methylsulfanyl-hept-1-enyl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(E)-7-bromo-3-methoxy-1-methylsulfanyl-hept-1-enyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(E)-7-bromo-3-methoxy-1-(methylthio)hept-1-enyl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(E)-7-bromo-3-methoxy-1-methylsulfanylhept-1-enyl]sulfonyl-4-methylbenzene Traditional Name: 1-[(E)-7-bromo-3-methoxy-1-(methylthio)hept-1-enyl]sulfonyl-4-methyl-benzene Formula: C16H23BrO3S2 MolecularWeight: 407.38602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC(CCCCBr)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C(CCCCBr)OC)/SC

InChI

InChI=1S/C16H23BrO3S2/c1-13-7-9-15(10-8-13)22(18,19)16(21-3)12-14(20-2)6-4-5-11-17/h7-10,12,14H,4-6,11H2,1-3H3/b16-12+