4-[2-(15-tert-butylsulfanylpentadecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(15-tert-butylsulfanylpentadecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(15-tert-butylsulfanylpentadecanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[[15-(tert-butylthio)-1-oxopentadecyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(15-tert-butylsulfanylpentadecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-[15-(tert-butylthio)pentadecanoylamino]phenoxy]butyric acid Formula: C29H49NO4S MolecularWeight: 507.76866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

Isomeric SMILES

CC(C)(C)SCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

InChI

InChI=1S/C29H49NO4S/c1-29(2,3)35-24-17-13-11-9-7-5-4-6-8-10-12-14-21-27(31)30-25-19-15-16-20-26(25)34-23-18-22-28(32)33/h15-16,19-20H,4-14,17-18,21-24H2,1-3H3,(H,30,31)(H,32,33)