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

Systemtic Name: (E)-3-[4-[5-(1-adamantyl)-2-methyl-4-oxidanyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[5-(1-adamantyl)-4-hydroxy-2-methyl-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[5-(1-adamantyl)-4-hydroxy-2-methylphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[5-(1-adamantyl)-4-hydroxy-2-methylphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[5-(1-adamantyl)-4-hydroxy-2-methyl-phenyl]phenyl]acrylic acid Formula: C26H28O3 MolecularWeight: 388.49872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(C=C2)C=CC(=O)O)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(C=C2)/C=C/C(=O)O)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C26H28O3/c1-16-8-24(27)23(26-13-18-9-19(14-26)11-20(10-18)15-26)12-22(16)21-5-2-17(3-6-21)4-7-25(28)29/h2-8,12,18-20,27H,9-11,13-15H2,1H3,(H,28,29)/b7-4+