2-[bis(3-chloranylphenoxy)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]butanoic acid

Systemtic Name: 2-[bis(3-chloranylphenoxy)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(3-chlorophenoxy)phosphinothioylmethyl]amino]butanoic acid CAS Name: 2-[bis(3-chlorophenoxy)phosphinothioylmethyl-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 2-[bis(3-chlorophenoxy)phosphinothioylmethyl-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[bis(3-chlorophenoxy)thiophosphorylmethyl-carbobenzoxy-amino]butyric acid Formula: C25H24Cl2NO6PS MolecularWeight: 568.405921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CP(=S)(OC1=CC(=CC=C1)Cl)OC2=CC(=CC=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)O)N(CP(=S)(OC1=CC(=CC=C1)Cl)OC2=CC(=CC=C2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24Cl2NO6PS/c1-2-23(24(29)30)28(25(31)32-16-18-8-4-3-5-9-18)17-35(36,33-21-12-6-10-19(26)14-21)34-22-13-7-11-20(27)15-22/h3-15,23H,2,16-17H2,1H3,(H,29,30)