methyl 4-oxidanylidene-4-[4-(9-phenylnonyl)phenyl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[4-(9-phenylnonyl)phenyl]butanoate Openeye Name: methyl 4-oxo-4-[4-(9-phenylnonyl)phenyl]butanoate CAS Name: 4-oxo-4-[4-(9-phenylnonyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[4-(9-phenylnonyl)phenyl]butanoate Traditional Name: 4-keto-4-[4-(9-phenylnonyl)phenyl]butyric acid methyl ester Formula: C26H34O3 MolecularWeight: 394.54636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC=C(C=C1)CCCCCCCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)C1=CC=C(C=C1)CCCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C26H34O3/c1-29-26(28)21-20-25(27)24-18-16-23(17-19-24)15-9-6-4-2-3-5-8-12-22-13-10-7-11-14-22/h7,10-11,13-14,16-19H,2-6,8-9,12,15,20-21H2,1H3