methyl 3-(7-oxidanylheptyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(7-oxidanylheptyl)azulene-1-carboxylate Openeye Name: methyl 3-(7-hydroxyheptyl)azulene-1-carboxylate CAS Name: 3-(7-hydroxyheptyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(7-hydroxyheptyl)azulene-1-carboxylate Traditional Name: 3-(7-hydroxyheptyl)azulene-1-carboxylic acid methyl ester Formula: C19H24O3 MolecularWeight: 300.39206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCCO

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCCO

InChI

InChI=1S/C19H24O3/c1-22-19(21)18-14-15(10-6-3-2-4-9-13-20)16-11-7-5-8-12-17(16)18/h5,7-8,11-12,14,20H,2-4,6,9-10,13H2,1H3