3-azanyl-6-[2-(dibutylamino)ethyl]-2-nitro-benzenesulfonic acid

Systemtic Name: 3-azanyl-6-[2-(dibutylamino)ethyl]-2-nitro-benzenesulfonic acid Openeye Name: 3-amino-6-[2-(dibutylamino)ethyl]-2-nitro-benzenesulfonic acid CAS Name: 3-amino-6-[2-(dibutylamino)ethyl]-2-nitrobenzenesulfonic acid IUPAC Name: 3-amino-6-[2-(dibutylamino)ethyl]-2-nitrobenzenesulfonic acid Traditional Name: 3-amino-6-[2-(dibutylamino)ethyl]-2-nitro-besylic acid Formula: C16H27N3O5S MolecularWeight: 373.46768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCC1=C(C(=C(C=C1)N)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCN(CCCC)CCC1=C(C(=C(C=C1)N)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C16H27N3O5S/c1-3-5-10-18(11-6-4-2)12-9-13-7-8-14(17)15(19(20)21)16(13)25(22,23)24/h7-8H,3-6,9-12,17H2,1-2H3,(H,22,23,24)