2-phenoxyethanoate; (2,3,4-trimethylphenyl)azanium

Systemtic Name: 2-phenoxyethanoate; (2,3,4-trimethylphenyl)azanium Openeye Name: 2-phenoxyacetate; (2,3,4-trimethylphenyl)ammonium CAS Name: 2-phenoxyacetate; (2,3,4-trimethylphenyl)ammonium IUPAC Name: 2-phenoxyacetate; (2,3,4-trimethylphenyl)azanium Traditional Name: 2-phenoxyacetate; (2,3,4-trimethylphenyl)ammonium Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[NH3+])C)C.C1=CC=C(C=C1)OCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)[NH3+])C)C.C1=CC=C(C=C1)OCC(=O)[O-]

InChI

InChI=1S/C9H13N.C8H8O3/c1-6-4-5-9(10)8(3)7(6)2;9-8(10)6-11-7-4-2-1-3-5-7/h4-5H,10H2,1-3H3;1-5H,6H2,(H,9,10)