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9-bromanyl-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid

9-bromanyl-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid

Systemtic Name:9-bromanyl-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
Openeye Name:9-bromo-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
CAS Name:9-bromo-2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxylic acid
IUPAC Name:9-bromo-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
Traditional Name:9-bromo-2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxylic acid
Formula: C16H13BrO3
MolecularWeight: 333.17662
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC3=C(C2C(=O)O)C=C(C=C3)Br


Isomeric SMILES

CC1=CC2=C(C=C1)OCC3=C(C2C(=O)O)C=C(C=C3)Br


InChI

InChI=1S/C16H13BrO3/c1-9-2-5-14-13(6-9)15(16(18)19)12-7-11(17)4-3-10(12)8-20-14/h2-7,15H,8H2,1H3,(H,18,19)


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