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

Systemtic Name: (E)-3-[3-bromanyl-4-(2,4-dimethylphenyl)sulfonyloxy-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-(2,4-dimethylphenyl)sulfonyloxy-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-(2,4-dimethylphenyl)sulfonyloxy-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-4-(2,4-dimethylphenyl)sulfonyloxy-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(2,4-dimethylphenyl)sulfonyloxy-5-methoxy-phenyl]acrylic acid Formula: C18H17BrO6S MolecularWeight: 441.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=CC(=O)O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)/C=C/C(=O)O)OC)C

InChI

InChI=1S/C18H17BrO6S/c1-11-4-6-16(12(2)8-11)26(22,23)25-18-14(19)9-13(5-7-17(20)21)10-15(18)24-3/h4-10H,1-3H3,(H,20,21)/b7-5+