phenyl 5-(bromomethyl)-4-ethyl-1,3-benzodioxole-2-carboxylate

Systemtic Name: phenyl 5-(bromomethyl)-4-ethyl-1,3-benzodioxole-2-carboxylate Openeye Name: phenyl 5-(bromomethyl)-4-ethyl-1,3-benzodioxole-2-carboxylate CAS Name: 5-(bromomethyl)-4-ethyl-1,3-benzodioxole-2-carboxylic acid phenyl ester IUPAC Name: phenyl 5-(bromomethyl)-4-ethyl-1,3-benzodioxole-2-carboxylate Traditional Name: 5-(bromomethyl)-4-ethyl-1,3-benzodioxole-2-carboxylic acid phenyl ester Formula: C17H15BrO4 MolecularWeight: 363.2026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1OC(O2)C(=O)OC3=CC=CC=C3)CBr

Isomeric SMILES

CCC1=C(C=CC2=C1OC(O2)C(=O)OC3=CC=CC=C3)CBr

InChI

InChI=1S/C17H15BrO4/c1-2-13-11(10-18)8-9-14-15(13)22-17(21-14)16(19)20-12-6-4-3-5-7-12/h3-9,17H,2,10H2,1H3