ethyl 2-(1,3-benzodioxol-4-yl)heptanoate

Systemtic Name: ethyl 2-(1,3-benzodioxol-4-yl)heptanoate Openeye Name: ethyl 2-(1,3-benzodioxol-4-yl)heptanoate CAS Name: 2-(1,3-benzodioxol-4-yl)heptanoic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-4-yl)heptanoate Traditional Name: 2-(1,3-benzodioxol-4-yl)enanthic acid ethyl ester Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C2C(=CC=C1)OCO2)C(=O)OCC

Isomeric SMILES

CCCCCC(C1=C2C(=CC=C1)OCO2)C(=O)OCC

InChI

InChI=1S/C16H22O4/c1-3-5-6-8-13(16(17)18-4-2)12-9-7-10-14-15(12)20-11-19-14/h7,9-10,13H,3-6,8,11H2,1-2H3