2-[bis(4-chloranyl-3-methyl-phenoxy)phosphorylmethylamino]ethanenitrile; methanesulfonic acid

Systemtic Name: 2-[bis(4-chloranyl-3-methyl-phenoxy)phosphorylmethylamino]ethanenitrile; methanesulfonic acid Openeye Name: 2-[bis(4-chloro-3-methyl-phenoxy)phosphorylmethylamino]acetonitrile; methanesulfonic acid CAS Name: 2-[bis(4-chloro-3-methylphenoxy)phosphorylmethylamino]acetonitrile; methanesulfonic acid IUPAC Name: 2-[bis(4-chloro-3-methylphenoxy)phosphorylmethylamino]acetonitrile; methanesulfonic acid Traditional Name: 2-[bis(4-chloro-3-methyl-phenoxy)phosphorylmethylamino]acetonitrile; mesylic acid Formula: C18H21Cl2N2O6PS MolecularWeight: 495.313901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OP(=O)(CNCC#N)OC2=CC(=C(C=C2)Cl)C)Cl.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OP(=O)(CNCC#N)OC2=CC(=C(C=C2)Cl)C)Cl.CS(=O)(=O)O

InChI

InChI=1S/C17H17Cl2N2O3P.CH4O3S/c1-12-9-14(3-5-16(12)18)23-25(22,11-21-8-7-20)24-15-4-6-17(19)13(2)10-15;1-5(2,3)4/h3-6,9-10,21H,8,11H2,1-2H3;1H3,(H,2,3,4)