4-(4-dodecylphenyl)-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-dodecylphenyl)-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-dodecylphenyl)-2-methyl-4-oxo-butanoic acid CAS Name: 4-(4-dodecylphenyl)-2-methyl-4-oxobutanoic acid IUPAC Name: 4-(4-dodecylphenyl)-2-methyl-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-laurylphenyl)-2-methyl-butyric acid Formula: C23H36O3 MolecularWeight: 360.53014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CC(C)C(=O)O

InChI

InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)22(24)18-19(2)23(25)26/h14-17,19H,3-13,18H2,1-2H3,(H,25,26)