2-(2-bromanyl-1,3-dimethyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethanoic acid

Systemtic Name: 2-(2-bromanyl-1,3-dimethyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethanoic acid Openeye Name: 2-(2-bromo-1,3-dimethyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid CAS Name: 2-(2-bromo-1,3-dimethyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid IUPAC Name: 2-(2-bromo-1,3-dimethyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid Traditional Name: 2-(2-bromo-1,3-dimethyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid Formula: C18H17BrO3 MolecularWeight: 361.22978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C3=CC=CC=C3CO2)CC(=O)O)C(=C1Br)C

Isomeric SMILES

CC1=CC2=C(C(C3=CC=CC=C3CO2)CC(=O)O)C(=C1Br)C

InChI

InChI=1S/C18H17BrO3/c1-10-7-15-17(11(2)18(10)19)14(8-16(20)21)13-6-4-3-5-12(13)9-22-15/h3-7,14H,8-9H2,1-2H3,(H,20,21)