(4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-nitrophenyl)quinoline-6-sulfonic acid

Systemtic Name: (4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-nitrophenyl)quinoline-6-sulfonic acid Openeye Name: (4E)-4-(hexadecylsulfonylhydrazono)-1-methyl-2-(4-nitrophenyl)quinoline-6-sulfonic acid CAS Name: (4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-nitrophenyl)-6-quinolinesulfonic acid IUPAC Name: (4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-nitrophenyl)quinoline-6-sulfonic acid Traditional Name: (4E)-4-(cetylsulfonylhydrazono)-1-methyl-2-(4-nitrophenyl)quinoline-6-sulfonic acid Formula: C32H46N4O7S2 MolecularWeight: 662.86024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NN=C1C=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C/1\C=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C32H46N4O7S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-44(39,40)34-33-30-25-32(26-17-19-27(20-18-26)36(37)38)35(2)31-22-21-28(24-29(30)31)45(41,42)43/h17-22,24-25,34H,3-16,23H2,1-2H3,(H,41,42,43)/b33-30+