3-nitro-4-octadecoxy-benzenesulfonic acid

Systemtic Name: 3-nitro-4-octadecoxy-benzenesulfonic acid Openeye Name: 3-nitro-4-octadecoxy-benzenesulfonic acid CAS Name: 3-nitro-4-octadecoxybenzenesulfonic acid IUPAC Name: 3-nitro-4-octadecoxybenzenesulfonic acid Traditional Name: 3-nitro-4-stearyloxy-besylic acid Formula: C24H41NO6S MolecularWeight: 471.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H41NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-24-19-18-22(32(28,29)30)21-23(24)25(26)27/h18-19,21H,2-17,20H2,1H3,(H,28,29,30)