ethyl 4-deuteriobenzoate

Systemtic Name: ethyl 4-deuteriobenzoate Openeye Name: ethyl 4-deuteriobenzoate CAS Name: 4-deuteriobenzoic acid ethyl ester IUPAC Name: ethyl 4-deuteriobenzoate Traditional Name: 4-deuteriobenzoic acid ethyl ester Formula: C9H10O2 MolecularWeight: 151.180662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

[2H]C1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i3D