methyl 3-(2-hexadecoxyphenyl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(2-hexadecoxyphenyl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(2-hexadecoxyphenyl)-3-oxo-propanoate CAS Name: 3-(2-hexadecoxyphenyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(2-hexadecoxyphenyl)-3-oxopropanoate Traditional Name: 3-(2-cetyloxyphenyl)-3-keto-propionic acid methyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)OC

InChI

InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25-20-17-16-19-23(25)24(27)22-26(28)29-2/h16-17,19-20H,3-15,18,21-22H2,1-2H3