5-[2-[butyl(11-oxidanylsulfonothioylundecanoyl)amino]phenyl]sulfanylpentanoic acid

Systemtic Name: 5-[2-[butyl(11-oxidanylsulfonothioylundecanoyl)amino]phenyl]sulfanylpentanoic acid Openeye Name: 5-[2-[butyl(11-hydroxysulfonothioylundecanoyl)amino]phenyl]sulfanylpentanoic acid CAS Name: 5-[[2-[butyl-(11-hydroxysulfonothioyl-1-oxoundecyl)amino]phenyl]thio]pentanoic acid IUPAC Name: 5-[2-[butyl(11-hydroxysulfonothioylundecanoyl)amino]phenyl]sulfanylpentanoic acid Traditional Name: 5-[[2-[butyl(11-hydroxysulfonothioylundecanoyl)amino]phenyl]thio]valeric acid Formula: C26H43NO5S3 MolecularWeight: 545.81832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1SCCCCC(=O)O)C(=O)CCCCCCCCCCS(=O)(=S)O

Isomeric SMILES

CCCCN(C1=CC=CC=C1SCCCCC(=O)O)C(=O)CCCCCCCCCCS(=O)(=S)O

InChI

InChI=1S/C26H43NO5S3/c1-2-3-20-27(23-16-11-12-17-24(23)34-21-14-13-19-26(29)30)25(28)18-10-8-6-4-5-7-9-15-22-35(31,32)33/h11-12,16-17H,2-10,13-15,18-22H2,1H3,(H,29,30)(H,31,32,33)