9-butanoyloxynonyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 9-butanoyloxynonyl 1,3-benzodioxole-5-carboxylate Openeye Name: 9-butanoyloxynonyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 9-(1-oxobutoxy)nonyl ester IUPAC Name: 9-butanoyloxynonyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 9-butyryloxynonyl ester Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCCCCCCCCOC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCC(=O)OCCCCCCCCCOC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C21H30O6/c1-2-10-20(22)24-13-8-6-4-3-5-7-9-14-25-21(23)17-11-12-18-19(15-17)27-16-26-18/h11-12,15H,2-10,13-14,16H2,1H3