4-[2-(19-propan-2-ylsulfanylnonadecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(19-propan-2-ylsulfanylnonadecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(19-isopropylsulfanylnonadecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[1-oxo-19-(propan-2-ylthio)nonadecyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(19-propan-2-ylsulfanylnonadecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[19-(isopropylthio)nonadecanoylamino]phenyl]thio]butyric acid Formula: C32H55NO3S2 MolecularWeight: 565.914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CC(C)SCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C32H55NO3S2/c1-28(2)37-26-20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-24-31(34)33-29-22-18-19-23-30(29)38-27-21-25-32(35)36/h18-19,22-23,28H,3-17,20-21,24-27H2,1-2H3,(H,33,34)(H,35,36)