3,4-di(hexadecanoyl)-2-nitro-benzenesulfonate

Systemtic Name: 3,4-di(hexadecanoyl)-2-nitro-benzenesulfonate Openeye Name: 3,4-di(hexadecanoyl)-2-nitro-benzenesulfonate CAS Name: 2-nitro-3,4-bis(1-oxohexadecyl)benzenesulfonate IUPAC Name: 3,4-di(hexadecanoyl)-2-nitrobenzenesulfonate Traditional Name: 3,4-di(hexadecanoyl)-2-nitro-besylate Formula: C38H64NO7S- MolecularWeight: 678.98226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=C(C(=C(C=C1)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=C(C(=C(C=C1)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H65NO7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(40)33-31-32-36(47(44,45)46)38(39(42)43)37(33)35(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3,(H,44,45,46)/p-1