2-methylsulfanyl-5-[2-(4-octadecoxyphenoxy)ethanoylamino]benzoic acid

Systemtic Name: 2-methylsulfanyl-5-[2-(4-octadecoxyphenoxy)ethanoylamino]benzoic acid Openeye Name: 2-methylsulfanyl-5-[[2-(4-octadecoxyphenoxy)acetyl]amino]benzoic acid CAS Name: 2-(methylthio)-5-[[2-(4-octadecoxyphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-methylsulfanyl-5-[[2-(4-octadecoxyphenoxy)acetyl]amino]benzoic acid Traditional Name: 2-(methylthio)-5-[[2-(4-stearyloxyphenoxy)acetyl]amino]benzoic acid Formula: C34H51NO5S MolecularWeight: 585.83744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)SC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C34H51NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-39-29-20-22-30(23-21-29)40-27-33(36)35-28-19-24-32(41-2)31(26-28)34(37)38/h19-24,26H,3-18,25,27H2,1-2H3,(H,35,36)(H,37,38)