(E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3,5-dimethyl-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3,5-dimethyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3,5-dimethyl-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3,5-dimethylphenyl]-2-propenoate IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3,5-dimethylphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3,5-dimethyl-phenyl]acrylate Formula: C27H29O3- MolecularWeight: 401.51736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)C)C=CC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)C)/C=C/C(=O)[O-]

InChI

InChI=1S/C27H30O3/c1-16-7-18(3-6-25(29)30)8-17(2)26(16)22-4-5-24(28)23(12-22)27-13-19-9-20(14-27)11-21(10-19)15-27/h3-8,12,19-21,28H,9-11,13-15H2,1-2H3,(H,29,30)/p-1/b6-3+