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

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-5-chloranyl-2-ethoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-chloro-2-ethoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]-5-chloro-2-ethoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]-5-chloro-2-ethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-chloro-2-ethoxy-phenyl]acrylate Formula: C27H28ClO4- MolecularWeight: 451.96182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)Cl)C=CC(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)Cl)/C=C/C(=O)[O-]

InChI

InChI=1S/C27H29ClO4/c1-2-32-26-20(4-6-25(30)31)10-21(28)12-22(26)19-3-5-24(29)23(11-19)27-13-16-7-17(14-27)9-18(8-16)15-27/h3-6,10-12,16-18,29H,2,7-9,13-15H2,1H3,(H,30,31)/p-1/b6-4+