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

Systemtic Name: 2-[[bis(3-chloranylphenoxy)-thiophosphoroso-methyl]-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(3-chlorophenoxy)-thiophosphoroso-methyl]amino]butanoic acid CAS Name: 2-[[bis(3-chlorophenoxy)-thiophosphorosomethyl]-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 2-[[bis(3-chlorophenoxy)-thiophosphorosomethyl]-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[[bis(3-chlorophenoxy)-thiophosphoroso-methyl]-carbobenzoxy-amino]butyric acid Formula: C25H22Cl2NO6PS MolecularWeight: 566.390041

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C(=O)OCC1=CC=CC=C1)C(OC2=CC(=CC=C2)Cl)(OC3=CC(=CC=C3)Cl)P=S

Isomeric SMILES

CCC(C(=O)O)N(C(=O)OCC1=CC=CC=C1)C(OC2=CC(=CC=C2)Cl)(OC3=CC(=CC=C3)Cl)P=S

InChI

InChI=1S/C25H22Cl2NO6PS/c1-2-22(23(29)30)28(24(31)32-16-17-8-4-3-5-9-17)25(35-36,33-20-12-6-10-18(26)14-20)34-21-13-7-11-19(27)15-21/h3-15,22H,2,16H2,1H3,(H,29,30)