N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine

Systemtic Name: N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine Openeye Name: N-hexadecyl-6-nitro-2-thioxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine CAS Name: N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphorin-2-amine IUPAC Name: N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine Traditional Name: cetyl-(6-nitro-2-thioxo-4H-1,3,2$l^{5}-benzodioxaphosphorin-2-yl)amine Formula: C23H39N2O4PS MolecularWeight: 470.605521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H39N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-30(31)28-20-21-19-22(25(26)27)16-17-23(21)29-30/h16-17,19H,2-15,18,20H2,1H3,(H,24,31)