2-[(E)-1-(2-bromanyl-4,5-dimethoxy-phenyl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]benzoic acid

Systemtic Name: 2-[(E)-1-(2-bromanyl-4,5-dimethoxy-phenyl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]benzoic acid Openeye Name: 2-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)-1-methoxycarbonyl-vinyl]benzoic acid CAS Name: 2-[(E)-1-(2-bromo-4,5-dimethoxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoic acid IUPAC Name: 2-[(E)-1-(2-bromo-4,5-dimethoxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoic acid Traditional Name: 2-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)-1-carbomethoxy-vinyl]benzoic acid Formula: C19H17BrO6 MolecularWeight: 421.23868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C2=CC=CC=C2C(=O)O)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C2=CC=CC=C2C(=O)O)/C(=O)OC)Br)OC

InChI

InChI=1S/C19H17BrO6/c1-24-16-9-11(15(20)10-17(16)25-2)8-14(19(23)26-3)12-6-4-5-7-13(12)18(21)22/h4-10H,1-3H3,(H,21,22)/b14-8+