phenyl 4-ethyl-5-methyl-1,3-benzodioxole-2-carboxylate

Systemtic Name: phenyl 4-ethyl-5-methyl-1,3-benzodioxole-2-carboxylate Openeye Name: phenyl 4-ethyl-5-methyl-1,3-benzodioxole-2-carboxylate CAS Name: 4-ethyl-5-methyl-1,3-benzodioxole-2-carboxylic acid phenyl ester IUPAC Name: phenyl 4-ethyl-5-methyl-1,3-benzodioxole-2-carboxylate Traditional Name: 4-ethyl-5-methyl-1,3-benzodioxole-2-carboxylic acid phenyl ester Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4/c1-3-13-11(2)9-10-14-15(13)21-17(20-14)16(18)19-12-7-5-4-6-8-12/h4-10,17H,3H2,1-2H3