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

Systemtic Name: (E)-3-[5-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-chloranyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[5-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-chloro-phenyl]prop-2-enoate CAS Name: (E)-3-[5-[3-(1-adamantyl)-4-hydroxyphenyl]-2-chlorophenyl]-2-propenoate IUPAC Name: (E)-3-[5-[3-(1-adamantyl)-4-hydroxyphenyl]-2-chlorophenyl]prop-2-enoate Traditional Name: (E)-3-[5-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-chloro-phenyl]acrylate Formula: C25H24ClO3- MolecularWeight: 407.90926

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC(=C(C=C5)Cl)C=CC(=O)[O-])O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC(=C(C=C5)Cl)/C=C/C(=O)[O-])O

InChI

InChI=1S/C25H25ClO3/c26-22-4-1-18(10-20(22)3-6-24(28)29)19-2-5-23(27)21(11-19)25-12-15-7-16(13-25)9-17(8-15)14-25/h1-6,10-11,15-17,27H,7-9,12-14H2,(H,28,29)/p-1/b6-3+