dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate; sulfane

Systemtic Name: dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate; sulfane Openeye Name: diisopropyl 5-nitrobenzene-1,3-dicarboxylate; hydrogen sulfide CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid dipropan-2-yl ester; sulfane IUPAC Name: dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate; sulfane Traditional Name: hydrogen sulfide; 5-nitrobenzene-1,3-dicarboxylic acid diisopropyl ester Formula: C14H19NO6S MolecularWeight: 329.36876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C.S

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C.S

InChI

InChI=1S/C14H17NO6.H2S/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19;/h5-9H,1-4H3;1H2