3-(4-chlorophenyl)-4-(4-oct-1-ynylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(4-chlorophenyl)-4-(4-oct-1-ynylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-(4-chlorophenyl)-4-(4-oct-1-ynylphenyl)-4-oxo-butanoic acid CAS Name: 3-(4-chlorophenyl)-4-(4-oct-1-ynylphenyl)-4-oxobutanoic acid IUPAC Name: 3-(4-chlorophenyl)-4-(4-oct-1-ynylphenyl)-4-oxobutanoic acid Traditional Name: 3-(4-chlorophenyl)-4-keto-4-(4-oct-1-ynylphenyl)butyric acid Formula: C24H25ClO3 MolecularWeight: 396.9065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(C=C1)C(=O)C(CC(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCC#CC1=CC=C(C=C1)C(=O)C(CC(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C24H25ClO3/c1-2-3-4-5-6-7-8-18-9-11-20(12-10-18)24(28)22(17-23(26)27)19-13-15-21(25)16-14-19/h9-16,22H,2-6,17H2,1H3,(H,26,27)