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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC(=O)O)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)O)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

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