ethyl 6-methyl-3-(3-methyl-5-oxidanyl-phenyl)azulene-1-carboxylate

Systemtic Name: ethyl 6-methyl-3-(3-methyl-5-oxidanyl-phenyl)azulene-1-carboxylate Openeye Name: ethyl 3-(3-hydroxy-5-methyl-phenyl)-6-methyl-azulene-1-carboxylate CAS Name: 3-(3-hydroxy-5-methylphenyl)-6-methyl-1-azulenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-hydroxy-5-methylphenyl)-6-methylazulene-1-carboxylate Traditional Name: 3-(3-hydroxy-5-methyl-phenyl)-6-methyl-azulene-1-carboxylic acid ethyl ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)C)C3=CC(=CC(=C3)O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)C)C3=CC(=CC(=C3)O)C

InChI

InChI=1S/C21H20O3/c1-4-24-21(23)20-12-19(15-9-14(3)10-16(22)11-15)17-7-5-13(2)6-8-18(17)20/h5-12,22H,4H2,1-3H3