methyl 3-(3-octadecoxyphenyl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(3-octadecoxyphenyl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(3-octadecoxyphenyl)-3-oxo-propanoate CAS Name: 3-(3-octadecoxyphenyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(3-octadecoxyphenyl)-3-oxopropanoate Traditional Name: 3-keto-3-(3-stearyloxyphenyl)propionic acid methyl ester Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-26-21-19-20-25(23-26)27(29)24-28(30)31-2/h19-21,23H,3-18,22,24H2,1-2H3