2,2-dimethyl-3-(3-octadecoxyphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2,2-dimethyl-3-(3-octadecoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2,2-dimethyl-3-(3-octadecoxyphenyl)-3-oxo-propanoic acid CAS Name: 2,2-dimethyl-3-(3-octadecoxyphenyl)-3-oxopropanoic acid IUPAC Name: 2,2-dimethyl-3-(3-octadecoxyphenyl)-3-oxopropanoic acid Traditional Name: 3-keto-2,2-dimethyl-3-(3-stearyloxyphenyl)propionic acid Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)C(C)(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)C(C)(C)C(=O)O

InChI

InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33-26-22-20-21-25(24-26)27(30)29(2,3)28(31)32/h20-22,24H,4-19,23H2,1-3H3,(H,31,32)