methyl 6-(2-oxidanylpropan-2-yl)-3-phenyl-azulene-1-carboxylate

Systemtic Name: methyl 6-(2-oxidanylpropan-2-yl)-3-phenyl-azulene-1-carboxylate Openeye Name: methyl 6-(1-hydroxy-1-methyl-ethyl)-3-phenyl-azulene-1-carboxylate CAS Name: 6-(2-hydroxypropan-2-yl)-3-phenyl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-hydroxypropan-2-yl)-3-phenylazulene-1-carboxylate Traditional Name: 6-(1-hydroxy-1-methyl-ethyl)-3-phenyl-azulene-1-carboxylic acid methyl ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C2C(=C(C=C2C(=O)OC)C3=CC=CC=C3)C=C1)O

Isomeric SMILES

CC(C)(C1=CC=C2C(=C(C=C2C(=O)OC)C3=CC=CC=C3)C=C1)O

InChI

InChI=1S/C21H20O3/c1-21(2,23)15-9-11-16-17(12-10-15)19(20(22)24-3)13-18(16)14-7-5-4-6-8-14/h4-13,23H,1-3H3