2-[[2-(6-bromanylhexyl)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxidanylidene-prop-2-enoic acid

Systemtic Name: 2-[[2-(6-bromanylhexyl)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxidanylidene-prop-2-enoic acid Openeye Name: 2-[[2-(6-bromohexyl)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxo-prop-2-enoic acid CAS Name: 2-[[2-(6-bromohexyl)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxo-2-propenoic acid IUPAC Name: 2-[[2-(6-bromohexyl)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxoprop-2-enoic acid Traditional Name: 2-[2-(6-bromohexyl)-5-(3-carbethoxyphenyl)benzyl]-3-keto-acrylic acid Formula: C25H27BrO5 MolecularWeight: 487.38288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)CCCCCCBr)CC(=C=O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)CCCCCCBr)CC(=C=O)C(=O)O

InChI

InChI=1S/C25H27BrO5/c1-2-31-25(30)21-10-7-9-19(14-21)20-12-11-18(8-5-3-4-6-13-26)22(15-20)16-23(17-27)24(28)29/h7,9-12,14-15H,2-6,8,13,16H2,1H3,(H,28,29)