4-[(E)-3-[4-(2-adamantylidenemethyl)phenyl]prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[4-(2-adamantylidenemethyl)phenyl]prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[4-(2-adamantylidenemethyl)phenyl]prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[4-(2-adamantylidenemethyl)phenyl]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[4-(2-adamantylidenemethyl)phenyl]prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[4-(2-adamantylidenemethyl)phenyl]prop-1-enyl]benzoic acid Formula: C27H28O2 MolecularWeight: 384.51002

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=CC4=CC=C(C=C4)CC=CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=CC4=CC=C(C=C4)C/C=C/C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H28O2/c28-27(29)23-10-8-19(9-11-23)3-1-2-18-4-6-20(7-5-18)17-26-24-13-21-12-22(15-24)16-25(26)14-21/h1,3-11,17,21-22,24-25H,2,12-16H2,(H,28,29)/b3-1+,26-17?