[2-oxidanylidene-5-(phenylmethyl)dodec-7-yn-6-yl] benzoate

Systemtic Name: [2-oxidanylidene-5-(phenylmethyl)dodec-7-yn-6-yl] benzoate Openeye Name: 1-(1-benzyl-4-oxo-pentyl)hept-2-ynyl benzoate CAS Name: benzoic acid [2-oxo-5-(phenylmethyl)dodec-7-yn-6-yl] ester IUPAC Name: (5-benzyl-2-oxododec-7-yn-6-yl) benzoate Traditional Name: benzoic acid 1-(1-benzyl-4-keto-pentyl)hept-2-ynyl ester Formula: C26H30O3 MolecularWeight: 390.5146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O3/c1-3-4-5-12-17-25(29-26(28)23-15-10-7-11-16-23)24(19-18-21(2)27)20-22-13-8-6-9-14-22/h6-11,13-16,24-25H,3-5,18-20H2,1-2H3