N-[[2,6-bis(dimethylaminomethyl)phenyl]-methoxy-phosphinothioyl]-2,4,6-tritert-butyl-aniline

Systemtic Name: N-[[2,6-bis(dimethylaminomethyl)phenyl]-methoxy-phosphinothioyl]-2,4,6-tritert-butyl-aniline Openeye Name: N-[[2,6-bis(dimethylaminomethyl)phenyl]-methoxy-phosphinothioyl]-2,4,6-tritert-butyl-aniline CAS Name: N-[[2,6-bis(dimethylaminomethyl)phenyl]-methoxyphosphinothioyl]-2,4,6-tritert-butylaniline IUPAC Name: N-[[2,6-bis(dimethylaminomethyl)phenyl]-methoxyphosphinothioyl]-2,4,6-tritert-butylaniline Traditional Name: [3-(dimethylaminomethyl)-2-[methoxy-(2,4,6-tritert-butylanilino)thiophosphoryl]benzyl]-dimethyl-amine Formula: C31H52N3OPS MolecularWeight: 545.802841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)NP(=S)(C2=C(C=CC=C2CN(C)C)CN(C)C)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N[P@](=S)(C2=C(C=CC=C2CN(C)C)CN(C)C)OC)C(C)(C)C

InChI

InChI=1S/C31H52N3OPS/c1-29(2,3)24-18-25(30(4,5)6)27(26(19-24)31(7,8)9)32-36(37,35-14)28-22(20-33(10)11)16-15-17-23(28)21-34(12)13/h15-19H,20-21H2,1-14H3,(H,32,37)/t36-/m1/s1