4-[(E)-(7-bromanyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoate

Systemtic Name: 4-[(E)-(7-bromanyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoate Openeye Name: 4-[(E)-(7-bromo-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoate CAS Name: 4-[(E)-(7-bromo-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoate IUPAC Name: 4-[(E)-(7-bromo-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(7-bromo-5-keto-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoate Formula: C18H12BrO4- MolecularWeight: 372.18948

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)Br)C(=O)C1=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C\1COC2=C(C=C(C=C2)Br)C(=O)/C1=C/C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H13BrO4/c19-14-5-6-16-15(10-14)17(20)13(7-8-23-16)9-11-1-3-12(4-2-11)18(21)22/h1-6,9-10H,7-8H2,(H,21,22)/p-1/b13-9+