4-[(E)-3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[3-(1-adamantyl)-4-hydroxyphenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[3-(1-adamantyl)-4-hydroxyphenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C26H26O4 MolecularWeight: 402.48224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O4/c27-23(7-3-16-1-4-20(5-2-16)25(29)30)21-6-8-24(28)22(12-21)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19,28H,9-11,13-15H2,(H,29,30)/b7-3+