2-acetyloxy-5-(1-adamantyl)benzoic acid

Systemtic Name: 2-acetyloxy-5-(1-adamantyl)benzoic acid Openeye Name: 2-acetoxy-5-(1-adamantyl)benzoic acid CAS Name: 2-acetyloxy-5-(1-adamantyl)benzoic acid IUPAC Name: 2-acetyloxy-5-(1-adamantyl)benzoic acid Traditional Name: 2-acetoxy-5-(1-adamantyl)benzoic acid Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O

InChI

InChI=1S/C19H22O4/c1-11(20)23-17-3-2-15(7-16(17)18(21)22)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-10H2,1H3,(H,21,22)