(E)-3-[4-(5-bromanyl-2-methyl-phenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(5-bromanyl-2-methyl-phenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(5-bromo-2-methyl-phenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(5-bromo-2-methylphenyl)sulfonyloxy-3-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(5-bromo-2-methylphenyl)sulfonyloxy-3-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(5-bromo-2-methyl-phenyl)sulfonyloxy-3-methoxy-phenyl]acrylic acid Formula: C17H15BrO6S MolecularWeight: 427.2664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)O)OC

InChI

InChI=1S/C17H15BrO6S/c1-11-3-6-13(18)10-16(11)25(21,22)24-14-7-4-12(5-8-17(19)20)9-15(14)23-2/h3-10H,1-2H3,(H,19,20)/b8-5+