methyl 2-[6-(4-methylphenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoate

Systemtic Name: methyl 2-[6-(4-methylphenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoate Openeye Name: methyl 2-[6-(4-methylbenzoyl)-1,3-benzodioxol-5-yl]acetate CAS Name: 2-[6-[(4-methylphenyl)-oxomethyl]-1,3-benzodioxol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(4-methylbenzoyl)-1,3-benzodioxol-5-yl]acetate Traditional Name: 2-(6-p-toluoyl-1,3-benzodioxol-5-yl)acetic acid methyl ester Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2CC(=O)OC)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2CC(=O)OC)OCO3

InChI

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