carboxy 4,6-diethyl-7-methyl-5-(2-oxidanylidenepropyl)-1,3-benzodioxole-2-carboxylate

Systemtic Name: carboxy 4,6-diethyl-7-methyl-5-(2-oxidanylidenepropyl)-1,3-benzodioxole-2-carboxylate Openeye Name: carboxy 5-acetonyl-4,6-diethyl-7-methyl-1,3-benzodioxole-2-carboxylate CAS Name: 4,6-diethyl-7-methyl-5-(2-oxopropyl)-1,3-benzodioxole-2-carboxylic acid carboxy ester IUPAC Name: carboxy 4,6-diethyl-7-methyl-5-(2-oxopropyl)-1,3-benzodioxole-2-carboxylate Traditional Name: 5-acetonyl-4,6-diethyl-7-methyl-1,3-benzodioxole-2-carboxylic acid carboxy ester Formula: C17H20O7 MolecularWeight: 336.3365

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1C)OC(O2)C(=O)OC(=O)O)CC)CC(=O)C

Isomeric SMILES

CCC1=C(C(=C2C(=C1C)OC(O2)C(=O)OC(=O)O)CC)CC(=O)C

InChI

InChI=1S/C17H20O7/c1-5-10-9(4)13-14(11(6-2)12(10)7-8(3)18)23-16(22-13)15(19)24-17(20)21/h16H,5-7H2,1-4H3,(H,20,21)