methyl 4-(2-oxidanylideneheptadec-3-ynyl)benzoate

Systemtic Name: methyl 4-(2-oxidanylideneheptadec-3-ynyl)benzoate Openeye Name: methyl 4-(2-oxoheptadec-3-ynyl)benzoate CAS Name: 4-(2-oxoheptadec-3-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-oxoheptadec-3-ynyl)benzoate Traditional Name: 4-(2-ketoheptadec-3-ynyl)benzoic acid methyl ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(=O)CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCC#CC(=O)CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C25H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)21-22-17-19-23(20-18-22)25(27)28-2/h17-20H,3-14,21H2,1-2H3