3,4-di(hexadecanoyl)-2-nitro-benzenesulfonic acid

Systemtic Name: 3,4-di(hexadecanoyl)-2-nitro-benzenesulfonic acid Openeye Name: 3,4-di(hexadecanoyl)-2-nitro-benzenesulfonic acid CAS Name: 2-nitro-3,4-bis(1-oxohexadecyl)benzenesulfonic acid IUPAC Name: 3,4-di(hexadecanoyl)-2-nitrobenzenesulfonic acid Traditional Name: 3,4-di(hexadecanoyl)-2-nitro-besylic acid Formula: C38H65NO7S MolecularWeight: 679.9902

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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)