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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)OC

Isomeric SMILES

CCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)OC

InChI

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