4-[3-[2-(dimethylcarbamothioylsulfanyl)phenoxy]phenyl]butylphosphonic acid

Systemtic Name: 4-[3-[2-(dimethylcarbamothioylsulfanyl)phenoxy]phenyl]butylphosphonic acid Openeye Name: 4-[3-[2-(dimethylcarbamothioylsulfanyl)phenoxy]phenyl]butylphosphonic acid CAS Name: 4-[3-[2-[[dimethylamino(sulfanylidene)methyl]thio]phenoxy]phenyl]butylphosphonic acid IUPAC Name: 4-[3-[2-(dimethylcarbamothioylsulfanyl)phenoxy]phenyl]butylphosphonic acid Traditional Name: 4-[3-[2-(dimethylthiocarbamoylthio)phenoxy]phenyl]butylphosphonic acid Formula: C19H24NO4PS2 MolecularWeight: 425.501921

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SC1=CC=CC=C1OC2=CC=CC(=C2)CCCCP(=O)(O)O

Isomeric SMILES

CN(C)C(=S)SC1=CC=CC=C1OC2=CC=CC(=C2)CCCCP(=O)(O)O

InChI

InChI=1S/C19H24NO4PS2/c1-20(2)19(26)27-18-12-4-3-11-17(18)24-16-10-7-9-15(14-16)8-5-6-13-25(21,22)23/h3-4,7,9-12,14H,5-6,8,13H2,1-2H3,(H2,21,22,23)