1-hexadecoxy-2-nitro-4-(phenylsulfonyl)benzene

Systemtic Name: 1-hexadecoxy-2-nitro-4-(phenylsulfonyl)benzene Openeye Name: 4-(benzenesulfonyl)-1-hexadecoxy-2-nitro-benzene CAS Name: 4-(benzenesulfonyl)-1-hexadecoxy-2-nitrobenzene IUPAC Name: 4-(benzenesulfonyl)-1-hexadecoxy-2-nitrobenzene Traditional Name: 4-besyl-1-cetyloxy-2-nitro-benzene Formula: C28H41NO5S MolecularWeight: 503.69384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H41NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-34-28-22-21-26(24-27(28)29(30)31)35(32,33)25-19-16-15-17-20-25/h15-17,19-22,24H,2-14,18,23H2,1H3