2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethylamino]-4-chloranyl-butanoic acid

Systemtic Name: 2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethylamino]-4-chloranyl-butanoic acid Openeye Name: 2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethylamino]-4-chloro-butanoic acid CAS Name: 2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethylamino]-4-chlorobutanoic acid IUPAC Name: 2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethylamino]-4-chlorobutanoic acid Traditional Name: 2-[bis(2,6-dimethoxyphenoxy)thiophosphorylmethylamino]-4-chloro-butyric acid Formula: C21H27ClNO8PS MolecularWeight: 519.932741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OP(=S)(CNC(CCCl)C(=O)O)OC2=C(C=CC=C2OC)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OP(=S)(CNC(CCCl)C(=O)O)OC2=C(C=CC=C2OC)OC

InChI

InChI=1S/C21H27ClNO8PS/c1-26-15-7-5-8-16(27-2)19(15)30-32(33,13-23-14(11-12-22)21(24)25)31-20-17(28-3)9-6-10-18(20)29-4/h5-10,14,23H,11-13H2,1-4H3,(H,24,25)