methyl 3-bromanyl-2-methyl-azulene-1-carboxylate

Systemtic Name: methyl 3-bromanyl-2-methyl-azulene-1-carboxylate Openeye Name: methyl 3-bromo-2-methyl-azulene-1-carboxylate CAS Name: 3-bromo-2-methyl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-2-methylazulene-1-carboxylate Traditional Name: 3-bromo-2-methyl-azulene-1-carboxylic acid methyl ester Formula: C13H11BrO2 MolecularWeight: 279.12924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=CC2=C1Br)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=CC2=C1Br)C(=O)OC

InChI

InChI=1S/C13H11BrO2/c1-8-11(13(15)16-2)9-6-4-3-5-7-10(9)12(8)14/h3-7H,1-2H3