methyl (E)-3-[(E)-7-bromanyl-1-(phenylsulfonyl)hept-1-en-3-yl]oxyprop-2-enoate

Systemtic Name: methyl (E)-3-[(E)-7-bromanyl-1-(phenylsulfonyl)hept-1-en-3-yl]oxyprop-2-enoate Openeye Name: methyl (E)-3-[1-[(E)-2-(benzenesulfonyl)vinyl]-5-bromo-pentoxy]prop-2-enoate CAS Name: (E)-3-[(E)-1-(benzenesulfonyl)-7-bromohept-1-en-3-yl]oxy-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(E)-1-(benzenesulfonyl)-7-bromohept-1-en-3-yl]oxyprop-2-enoate Traditional Name: (E)-3-[(E)-3-besyl-1-(4-bromobutyl)allyloxy]acrylic acid methyl ester Formula: C17H21BrO5S MolecularWeight: 417.31464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=COC(CCCCBr)C=CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)/C=C/OC(CCCCBr)/C=C/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H21BrO5S/c1-22-17(19)10-13-23-15(7-5-6-12-18)11-14-24(20,21)16-8-3-2-4-9-16/h2-4,8-11,13-15H,5-7,12H2,1H3/b13-10+,14-11+