2-[3-(decylamino)propyl]-5-nitro-benzenethiol

Systemtic Name: 2-[3-(decylamino)propyl]-5-nitro-benzenethiol Openeye Name: 2-[3-(decylamino)propyl]-5-nitro-benzenethiol CAS Name: 2-[3-(decylamino)propyl]-5-nitrobenzenethiol IUPAC Name: 2-[3-(decylamino)propyl]-5-nitrobenzenethiol Traditional Name: 2-[3-(decylamino)propyl]-5-nitro-benzenethiol Formula: C19H32N2O2S MolecularWeight: 352.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNCCCC1=C(C=C(C=C1)[N+](=O)[O-])S

Isomeric SMILES

CCCCCCCCCCNCCCC1=C(C=C(C=C1)[N+](=O)[O-])S

InChI

InChI=1S/C19H32N2O2S/c1-2-3-4-5-6-7-8-9-14-20-15-10-11-17-12-13-18(21(22)23)16-19(17)24/h12-13,16,20,24H,2-11,14-15H2,1H3