1-hexadecoxy-4-methylsulfonyl-2-nitro-benzene

Systemtic Name: 1-hexadecoxy-4-methylsulfonyl-2-nitro-benzene Openeye Name: 1-hexadecoxy-4-methylsulfonyl-2-nitro-benzene CAS Name: 1-hexadecoxy-4-methylsulfonyl-2-nitrobenzene IUPAC Name: 1-hexadecoxy-4-methylsulfonyl-2-nitrobenzene Traditional Name: 1-cetyloxy-4-mesyl-2-nitro-benzene Formula: C23H39NO5S MolecularWeight: 441.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H39NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-23-18-17-21(30(2,27)28)20-22(23)24(25)26/h17-18,20H,3-16,19H2,1-2H3