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

Systemtic Name: 2-[(E)-1-(2-bromanyl-5-methoxy-phenyl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]benzoic acid Openeye Name: 2-[(E)-2-(2-bromo-5-methoxy-phenyl)-1-methoxycarbonyl-vinyl]benzoic acid CAS Name: 2-[(E)-1-(2-bromo-5-methoxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoic acid IUPAC Name: 2-[(E)-1-(2-bromo-5-methoxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoic acid Traditional Name: 2-[(E)-2-(2-bromo-5-methoxy-phenyl)-1-carbomethoxy-vinyl]benzoic acid Formula: C18H15BrO5 MolecularWeight: 391.2127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrO5/c1-23-12-7-8-16(19)11(9-12)10-15(18(22)24-2)13-5-3-4-6-14(13)17(20)21/h3-10H,1-2H3,(H,20,21)/b15-10+