(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(2-thienyl)acrylic acid Formula: C14H11BrO4S MolecularWeight: 355.20374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C2=CC=CS2)C(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C2=CC=CS2)\C(=O)O)Br)O

InChI

InChI=1S/C14H11BrO4S/c1-19-11-7-8(6-10(15)13(11)16)5-9(14(17)18)12-3-2-4-20-12/h2-7,16H,1H3,(H,17,18)/b9-5-