3-(1-adamantyl)-4-ethyl-benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-ethyl-benzoic acid Openeye Name: 3-(1-adamantyl)-4-ethyl-benzoic acid CAS Name: 3-(1-adamantyl)-4-ethylbenzoic acid IUPAC Name: 3-(1-adamantyl)-4-ethylbenzoic acid Traditional Name: 3-(1-adamantyl)-4-ethyl-benzoic acid Formula: C19H24O2 MolecularWeight: 284.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H24O2/c1-2-15-3-4-16(18(20)21)8-17(15)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,20,21)