2-[3-bromanyl-5-(carboxymethyl)benzo[b][1]benzoxepin-6-yl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-5-(carboxymethyl)benzo[b][1]benzoxepin-6-yl]ethanoic acid Openeye Name: 2-[3-bromo-5-(carboxymethyl)benzo[b][1]benzoxepin-6-yl]acetic acid CAS Name: 2-[3-bromo-5-(carboxymethyl)-6-benzo[b][1]benzoxepinyl]acetic acid IUPAC Name: 2-[3-bromo-5-(carboxymethyl)benzo[b][1]benzoxepin-6-yl]acetic acid Traditional Name: 2-[3-bromo-5-(carboxymethyl)benzo[b][1]benzoxepin-6-yl]acetic acid Formula: C18H13BrO5 MolecularWeight: 389.19682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C3=C(O2)C=CC(=C3)Br)CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C3=C(O2)C=CC(=C3)Br)CC(=O)O)CC(=O)O

InChI

InChI=1S/C18H13BrO5/c19-10-5-6-16-14(7-10)13(9-18(22)23)12(8-17(20)21)11-3-1-2-4-15(11)24-16/h1-7H,8-9H2,(H,20,21)(H,22,23)