2-[(E)-2-(4-benzo[e][1]benzofuran-2-yl-2-bromanyl-phenyl)ethenyl]-6-butyl-benzoic acid

Systemtic Name: 2-[(E)-2-(4-benzo[e][1]benzofuran-2-yl-2-bromanyl-phenyl)ethenyl]-6-butyl-benzoic acid Openeye Name: 2-[(E)-2-(4-benzo[e]benzofuran-2-yl-2-bromo-phenyl)vinyl]-6-butyl-benzoic acid CAS Name: 2-[(E)-2-[4-(2-benzo[e]benzofuranyl)-2-bromophenyl]ethenyl]-6-butylbenzoic acid IUPAC Name: 2-[(E)-2-(4-benzo[e][1]benzofuran-2-yl-2-bromophenyl)ethenyl]-6-butylbenzoic acid Traditional Name: 2-[(E)-2-(4-benzo[e]benzofuran-2-yl-2-bromo-phenyl)vinyl]-6-butyl-benzoic acid Formula: C31H25BrO3 MolecularWeight: 525.4324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C(=O)O)C=CC2=C(C=C(C=C2)C3=CC4=C(O3)C=CC5=CC=CC=C54)Br

Isomeric SMILES

CCCCC1=CC=CC(=C1C(=O)O)/C=C/C2=C(C=C(C=C2)C3=CC4=C(O3)C=CC5=CC=CC=C54)Br

InChI

InChI=1S/C31H25BrO3/c1-2-3-7-22-9-6-10-23(30(22)31(33)34)14-12-21-13-15-24(18-27(21)32)29-19-26-25-11-5-4-8-20(25)16-17-28(26)35-29/h4-6,8-19H,2-3,7H2,1H3,(H,33,34)/b14-12+