4-[2-(17-methyloctadecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(17-methyloctadecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(17-methyloctadecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(17-methyl-1-oxooctadecyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(17-methyloctadecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(17-methyloctadecanoylamino)phenyl]thio]butyric acid Formula: C29H49NO3S MolecularWeight: 491.76926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO3S/c1-25(2)19-14-12-10-8-6-4-3-5-7-9-11-13-15-22-28(31)30-26-20-16-17-21-27(26)34-24-18-23-29(32)33/h16-17,20-21,25H,3-15,18-19,22-24H2,1-2H3,(H,30,31)(H,32,33)