[1-oxidanylidene-4-(phenylmethyl)undec-6-yn-5-yl] benzoate

Systemtic Name: [1-oxidanylidene-4-(phenylmethyl)undec-6-yn-5-yl] benzoate Openeye Name: 1-(1-benzyl-4-oxo-butyl)hept-2-ynyl benzoate CAS Name: benzoic acid [1-oxo-4-(phenylmethyl)undec-6-yn-5-yl] ester IUPAC Name: (4-benzyl-1-oxoundec-6-yn-5-yl) benzoate Traditional Name: benzoic acid 1-(1-benzyl-4-keto-butyl)hept-2-ynyl ester Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C(CCC=O)CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC#CC(C(CCC=O)CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H28O3/c1-2-3-4-11-18-24(28-25(27)22-15-9-6-10-16-22)23(17-12-19-26)20-21-13-7-5-8-14-21/h5-10,13-16,19,23-24H,2-4,12,17,20H2,1H3