(E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]but-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]but-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]but-2-enoic acid CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-2-butenoic acid IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]but-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]but-2-enoic acid Formula: C26H28O3 MolecularWeight: 388.49872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC=C(C=C1)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C(=C\C(=O)O)/C1=CC=C(C=C1)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O3/c1-16(8-25(28)29)20-2-4-21(5-3-20)22-6-7-24(27)23(12-22)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-8,12,17-19,27H,9-11,13-15H2,1H3,(H,28,29)/b16-8+