(4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-[4-(4-methylphenoxy)phenyl]quinoline-6-sulfonic acid

Systemtic Name: (4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-[4-(4-methylphenoxy)phenyl]quinoline-6-sulfonic acid Openeye Name: (4E)-4-(hexadecylsulfonylhydrazono)-1-methyl-2-[4-(4-methylphenoxy)phenyl]quinoline-6-sulfonic acid CAS Name: (4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-[4-(4-methylphenoxy)phenyl]-6-quinolinesulfonic acid IUPAC Name: (4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-[4-(4-methylphenoxy)phenyl]quinoline-6-sulfonic acid Traditional Name: (4E)-4-(cetylsulfonylhydrazono)-1-methyl-2-[4-(4-methylphenoxy)phenyl]quinoline-6-sulfonic acid Formula: C39H53N3O6S2 MolecularWeight: 723.98462

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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)OC4=CC=C(C=C4)C

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)OC4=CC=C(C=C4)C

InChI

InChI=1S/C39H53N3O6S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-49(43,44)41-40-37-30-39(42(3)38-27-26-35(29-36(37)38)50(45,46)47)32-20-24-34(25-21-32)48-33-22-18-31(2)19-23-33/h18-27,29-30,41H,4-17,28H2,1-3H3,(H,45,46,47)/b40-37+