(2E,4E)-5-(8-bromanyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-(8-bromanyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-(8-bromo-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-(8-bromo-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(8-bromo-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-(8-bromo-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid Formula: C18H18BrFO3 MolecularWeight: 381.236123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C=CC1=CC2=CC(=C(C=C2OCC1(C)C)Br)F

Isomeric SMILES

C/C(=C\C(=O)O)/C=C/C1=CC2=CC(=C(C=C2OCC1(C)C)Br)F

InChI

InChI=1S/C18H18BrFO3/c1-11(6-17(21)22)4-5-13-7-12-8-15(20)14(19)9-16(12)23-10-18(13,2)3/h4-9H,10H2,1-3H3,(H,21,22)/b5-4+,11-6+