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

Systemtic Name: 6-nitro-N-pentadecyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine Openeye Name: 6-nitro-N-pentadecyl-2-thioxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine CAS Name: 6-nitro-N-pentadecyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphorin-2-amine IUPAC Name: 6-nitro-N-pentadecyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine Traditional Name: (6-nitro-2-thioxo-4H-1,3,2$l^{5}-benzodioxaphosphorin-2-yl)-pentadecyl-amine Formula: C22H37N2O4PS MolecularWeight: 456.578941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H37N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-29(30)27-19-20-18-21(24(25)26)15-16-22(20)28-29/h15-16,18H,2-14,17,19H2,1H3,(H,23,30)