1-butyl-4-nitro-2-octylsulfonyl-benzene

Systemtic Name: 1-butyl-4-nitro-2-octylsulfonyl-benzene Openeye Name: 1-butyl-4-nitro-2-octylsulfonyl-benzene CAS Name: 1-butyl-4-nitro-2-octylsulfonylbenzene IUPAC Name: 1-butyl-4-nitro-2-octylsulfonylbenzene Traditional Name: 1-butyl-4-nitro-2-octylsulfonyl-benzene Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CCCC

InChI

InChI=1S/C18H29NO4S/c1-3-5-7-8-9-10-14-24(22,23)18-15-17(19(20)21)13-12-16(18)11-6-4-2/h12-13,15H,3-11,14H2,1-2H3