methyl 3-(6-oxidanylhexyl)-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(6-oxidanylhexyl)-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(6-hydroxyhexyl)-6-isopropyl-azulene-1-carboxylate CAS Name: 3-(6-hydroxyhexyl)-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(6-hydroxyhexyl)-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(6-hydroxyhexyl)-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCCO)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCCO)C(=O)OC)C=C1

InChI

InChI=1S/C21H28O3/c1-15(2)16-9-11-18-17(8-6-4-5-7-13-22)14-20(21(23)24-3)19(18)12-10-16/h9-12,14-15,22H,4-8,13H2,1-3H3