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

Systemtic Name: (3-tert-butyl-4-oxidanyl-phenyl) 3,8-dimethyl-5-propan-2-yl-azulene-1-carboxylate Openeye Name: (3-tert-butyl-4-hydroxy-phenyl) 5-isopropyl-3,8-dimethyl-azulene-1-carboxylate CAS Name: 3,8-dimethyl-5-propan-2-yl-1-azulenecarboxylic acid (3-tert-butyl-4-hydroxyphenyl) ester IUPAC Name: (3-tert-butyl-4-hydroxyphenyl) 3,8-dimethyl-5-propan-2-ylazulene-1-carboxylate Traditional Name: 5-isopropyl-3,8-dimethyl-azulene-1-carboxylic acid (3-tert-butyl-4-hydroxy-phenyl) ester Formula: C26H30O3 MolecularWeight: 390.5146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O3/c1-15(2)18-9-8-16(3)24-20(13-18)17(4)12-21(24)25(28)29-19-10-11-23(27)22(14-19)26(5,6)7/h8-15,27H,1-7H3