3-phenyl-2-(2,3,6-trimethylphenyl)propanoate

Systemtic Name: 3-phenyl-2-(2,3,6-trimethylphenyl)propanoate Openeye Name: 3-phenyl-2-(2,3,6-trimethylphenyl)propanoate CAS Name: 3-phenyl-2-(2,3,6-trimethylphenyl)propanoate IUPAC Name: 3-phenyl-2-(2,3,6-trimethylphenyl)propanoate Traditional Name: 3-phenyl-2-(2,3,6-trimethylphenyl)propionate Formula: C18H19O2- MolecularWeight: 267.34226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)C(CC2=CC=CC=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)C(CC2=CC=CC=C2)C(=O)[O-])C

InChI

InChI=1S/C18H20O2/c1-12-9-10-13(2)17(14(12)3)16(18(19)20)11-15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3,(H,19,20)/p-1