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

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-5-oxidanyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxyphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxyphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-phenyl]phenyl]acrylic acid Formula: C25H26O3 MolecularWeight: 374.47214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=CC(=C4)C5=CC=C(C=C5)C=CC(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=CC(=C4)C5=CC=C(C=C5)/C=C/C(=O)O)O

InChI

InChI=1S/C25H26O3/c26-23-11-21(20-4-1-16(2-5-20)3-6-24(27)28)10-22(12-23)25-13-17-7-18(14-25)9-19(8-17)15-25/h1-6,10-12,17-19,26H,7-9,13-15H2,(H,27,28)/b6-3+