(2,3,6-trimethylphenyl) 2-(1-adamantyl)ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-(1-adamantyl)ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid (2,3,6-trimethylphenyl) ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H28O2/c1-13-4-5-14(2)20(15(13)3)23-19(22)12-21-9-16-6-17(10-21)8-18(7-16)11-21/h4-5,16-18H,6-12H2,1-3H3