2-chloranyl-3-(4-hexadecoxyphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-chloranyl-3-(4-hexadecoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-chloro-3-(4-hexadecoxyphenyl)-3-oxo-propanoic acid CAS Name: 2-chloro-3-(4-hexadecoxyphenyl)-3-oxopropanoic acid IUPAC Name: 2-chloro-3-(4-hexadecoxyphenyl)-3-oxopropanoic acid Traditional Name: 3-(4-cetyloxyphenyl)-2-chloro-3-keto-propionic acid Formula: C25H39ClO4 MolecularWeight: 439.02776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)O)Cl

InChI

InChI=1S/C25H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-22-18-16-21(17-19-22)24(27)23(26)25(28)29/h16-19,23H,2-15,20H2,1H3,(H,28,29)