methyl 2-(3-oxidanylideneicosanoyl)benzoate

Systemtic Name: methyl 2-(3-oxidanylideneicosanoyl)benzoate Openeye Name: methyl 2-(3-oxoicosanoyl)benzoate CAS Name: 2-(1,3-dioxoeicosyl)benzoic acid methyl ester IUPAC Name: methyl 2-(3-oxoicosanoyl)benzoate Traditional Name: 2-(3-ketoeicosanoyl)benzoic acid methyl ester Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C28H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(29)23-27(30)25-21-18-19-22-26(25)28(31)32-2/h18-19,21-22H,3-17,20,23H2,1-2H3