ethyl 4-[1-ethoxy-6-methyl-1,7-bis(oxidanylidene)heptan-2-yl]benzoate

Systemtic Name: ethyl 4-[1-ethoxy-6-methyl-1,7-bis(oxidanylidene)heptan-2-yl]benzoate Openeye Name: ethyl 4-(1-ethoxycarbonyl-5-methyl-6-oxo-hexyl)benzoate CAS Name: 4-(1-ethoxy-6-methyl-1,7-dioxoheptan-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(1-ethoxy-6-methyl-1,7-dioxoheptan-2-yl)benzoate Traditional Name: 4-(1-carbethoxy-6-keto-5-methyl-hexyl)benzoic acid ethyl ester Formula: C19H26O5 MolecularWeight: 334.40674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(CCCC(C)C=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(CCCC(C)C=O)C(=O)OCC

InChI

InChI=1S/C19H26O5/c1-4-23-18(21)16-11-9-15(10-12-16)17(19(22)24-5-2)8-6-7-14(3)13-20/h9-14,17H,4-8H2,1-3H3