(2-butan-2-yl-4,6-dinitro-phenyl) propylsulfanylmethanoate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) propylsulfanylmethanoate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) propylsulfanylformate CAS Name: (propylthio)formic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) propylsulfanylformate Traditional Name: (propylthio)formic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C14H18N2O6S MolecularWeight: 342.36752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)OC1=C(C=C(C=C1C(C)CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCSC(=O)OC1=C(C=C(C=C1C(C)CC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S/c1-4-6-23-14(17)22-13-11(9(3)5-2)7-10(15(18)19)8-12(13)16(20)21/h7-9H,4-6H2,1-3H3