ethyl (E)-3-[3,5-bis(2-methylhexan-2-yl)-4-oxidanyl-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3,5-bis(2-methylhexan-2-yl)-4-oxidanyl-phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3,5-bis(1,1-dimethylpentyl)-4-hydroxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-hydroxy-3,5-bis(2-methylhexan-2-yl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-hydroxy-3,5-bis(2-methylhexan-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3,5-bis(1,1-dimethylpentyl)-4-hydroxy-phenyl]acrylic acid ethyl ester Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O3/c1-8-11-15-24(4,5)20-17-19(13-14-22(26)28-10-3)18-21(23(20)27)25(6,7)16-12-9-2/h13-14,17-18,27H,8-12,15-16H2,1-7H3/b14-13+