[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H16O5/c1-11-5-12(2)7-14(6-11)18(20)21-9-15(19)13-3-4-16-17(8-13)23-10-22-16/h3-8H,9-10H2,1-2H3