ethyl (E)-3-[3-tert-butyl-5-(2-methylpentan-2-yl)-4-oxidanyl-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-tert-butyl-5-(2-methylpentan-2-yl)-4-oxidanyl-phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-tert-butyl-5-(1,1-dimethylbutyl)-4-hydroxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-tert-butyl-4-hydroxy-5-(2-methylpentan-2-yl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-tert-butyl-4-hydroxy-5-(2-methylpentan-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-tert-butyl-5-(1,1-dimethylbutyl)-4-hydroxy-phenyl]acrylic acid ethyl ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)OCC

Isomeric SMILES

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)OCC

InChI

InChI=1S/C21H32O3/c1-8-12-21(6,7)17-14-15(10-11-18(22)24-9-2)13-16(19(17)23)20(3,4)5/h10-11,13-14,23H,8-9,12H2,1-7H3/b11-10+