(2,5-ditert-butyl-4-methyl-phenyl) 3,8-dimethyl-5-propan-2-yl-azulene-1-carboxylate

Systemtic Name: (2,5-ditert-butyl-4-methyl-phenyl) 3,8-dimethyl-5-propan-2-yl-azulene-1-carboxylate Openeye Name: (2,5-ditert-butyl-4-methyl-phenyl) 5-isopropyl-3,8-dimethyl-azulene-1-carboxylate CAS Name: 3,8-dimethyl-5-propan-2-yl-1-azulenecarboxylic acid (2,5-ditert-butyl-4-methylphenyl) ester IUPAC Name: (2,5-ditert-butyl-4-methylphenyl) 3,8-dimethyl-5-propan-2-ylazulene-1-carboxylate Traditional Name: 5-isopropyl-3,8-dimethyl-azulene-1-carboxylic acid (2,5-ditert-butyl-4-methyl-phenyl) ester Formula: C31H40O2 MolecularWeight: 444.6481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C(=O)OC3=C(C=C(C(=C3)C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C(=O)OC3=C(C=C(C(=C3)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C31H40O2/c1-18(2)22-13-12-19(3)28-23(16-22)20(4)14-24(28)29(32)33-27-17-25(30(6,7)8)21(5)15-26(27)31(9,10)11/h12-18H,1-11H3