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4-[(E)-2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethenyl]benzoic acid

4-[(E)-2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethenyl]benzoic acid

Systemtic Name:4-[(E)-2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethenyl]benzoic acid
Openeye Name:4-[(E)-2-[3-(1-adamantyl)-4-hydroxy-phenyl]vinyl]benzoic acid
CAS Name:4-[(E)-2-[3-(1-adamantyl)-4-hydroxyphenyl]ethenyl]benzoic acid
IUPAC Name:4-[(E)-2-[3-(1-adamantyl)-4-hydroxyphenyl]ethenyl]benzoic acid
Traditional Name:4-[(E)-2-[3-(1-adamantyl)-4-hydroxy-phenyl]vinyl]benzoic acid
Formula: C25H26O3
MolecularWeight: 374.47214
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C=CC5=CC=C(C=C5)C(=O)O)O


Isomeric SMILES

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


InChI

InChI=1S/C25H26O3/c26-23-8-5-17(2-1-16-3-6-21(7-4-16)24(27)28)12-22(23)25-13-18-9-19(14-25)11-20(10-18)15-25/h1-8,12,18-20,26H,9-11,13-15H2,(H,27,28)/b2-1+


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