(E)-3-[4-[3-(1-adamantyl)-4-methoxy-5-oxidanyl-phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-methoxy-5-oxidanyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-4-methoxy-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-4-methoxyphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-4-methoxyphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-4-methoxy-phenyl]phenyl]acrylic acid Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1O)C2=CC=C(C=C2)C=CC(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1O)C2=CC=C(C=C2)/C=C/C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O4/c1-30-25-22(26-13-17-8-18(14-26)10-19(9-17)15-26)11-21(12-23(25)27)20-5-2-16(3-6-20)4-7-24(28)29/h2-7,11-12,17-19,27H,8-10,13-15H2,1H3,(H,28,29)/b7-4+