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

Systemtic Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(2-methylphenyl)quinoline-6-sulfonic acid Openeye Name: 4-(hexadecylsulfonylhydrazono)-1-methyl-2-(o-tolyl)quinoline-6-sulfonic acid CAS Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(2-methylphenyl)-6-quinolinesulfonic acid IUPAC Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(2-methylphenyl)quinoline-6-sulfonic acid Traditional Name: 4-(cetylsulfonylhydrazono)-1-methyl-2-(o-tolyl)quinoline-6-sulfonic acid Formula: C33H49N3O5S2 MolecularWeight: 631.88926

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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=CC=C3C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NN=C1C=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C)C3=CC=CC=C3C

InChI

InChI=1S/C33H49N3O5S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-42(37,38)35-34-31-26-33(29-21-18-17-20-27(29)2)36(3)32-23-22-28(25-30(31)32)43(39,40)41/h17-18,20-23,25-26,35H,4-16,19,24H2,1-3H3,(H,39,40,41)