bis[(2S)-2-isocyano-3,3-dimethyl-butoxy]phosphorylbenzene

Systemtic Name: bis[(2S)-2-isocyano-3,3-dimethyl-butoxy]phosphorylbenzene Openeye Name: bis[(2S)-2-isocyano-3,3-dimethyl-butoxy]phosphorylbenzene CAS Name: bis[(2S)-2-isocyano-3,3-dimethylbutoxy]phosphorylbenzene IUPAC Name: bis[(2S)-2-isocyano-3,3-dimethylbutoxy]phosphorylbenzene Traditional Name: bis[(2S)-2-isocyano-3,3-dimethyl-butoxy]phosphorylbenzene Formula: C20H29N2O3P MolecularWeight: 376.429621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(COP(=O)(C1=CC=CC=C1)OCC(C(C)(C)C)[N+]#[C-])[N+]#[C-]

Isomeric SMILES

CC(C)(C)[C@@H](COP(=O)(C1=CC=CC=C1)OC[C@H](C(C)(C)C)[N+]#[C-])[N+]#[C-]

InChI

InChI=1S/C20H29N2O3P/c1-19(2,3)17(21-7)14-24-26(23,16-12-10-9-11-13-16)25-15-18(22-8)20(4,5)6/h9-13,17-18H,14-15H2,1-6H3/t17-,18-/m1/s1