1-[(E)-1-bromanyl-7-phenylmethoxy-hept-2-en-2-yl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(E)-1-bromanyl-7-phenylmethoxy-hept-2-en-2-yl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(E)-6-benzyloxy-1-(bromomethyl)hex-1-enyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(E)-1-bromo-7-phenylmethoxyhept-2-en-2-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(E)-1-bromo-7-phenylmethoxyhept-2-en-2-yl]sulfonyl-4-methylbenzene Traditional Name: 1-[(E)-6-benzoxy-1-(bromomethyl)hex-1-enyl]sulfonyl-4-methyl-benzene Formula: C21H25BrO3S MolecularWeight: 437.3904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CCCCCOCC2=CC=CC=C2)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/CCCCOCC2=CC=CC=C2)/CBr

InChI

InChI=1S/C21H25BrO3S/c1-18-11-13-20(14-12-18)26(23,24)21(16-22)10-6-3-7-15-25-17-19-8-4-2-5-9-19/h2,4-5,8-14H,3,6-7,15-17H2,1H3/b21-10+