methyl 3-(5-oxidanylpentyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(5-oxidanylpentyl)azulene-1-carboxylate Openeye Name: methyl 3-(5-hydroxypentyl)azulene-1-carboxylate CAS Name: 3-(5-hydroxypentyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-hydroxypentyl)azulene-1-carboxylate Traditional Name: 3-(5-hydroxypentyl)azulene-1-carboxylic acid methyl ester Formula: C17H20O3 MolecularWeight: 272.3389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O3/c1-20-17(19)16-12-13(8-4-3-7-11-18)14-9-5-2-6-10-15(14)16/h2,5-6,9-10,12,18H,3-4,7-8,11H2,1H3