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

Systemtic Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-methylsulfonylphenyl)quinoline-6-sulfonic acid Openeye Name: 4-(hexadecylsulfonylhydrazono)-1-methyl-2-(4-methylsulfonylphenyl)quinoline-6-sulfonic acid CAS Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-methylsulfonylphenyl)-6-quinolinesulfonic acid IUPAC Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-methylsulfonylphenyl)quinoline-6-sulfonic acid Traditional Name: 4-(cetylsulfonylhydrazono)-2-(4-mesylphenyl)-1-methyl-quinoline-6-sulfonic acid Formula: C33H49N3O7S3 MolecularWeight: 695.95306

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C33H49N3O7S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-45(39,40)35-34-31-26-33(27-18-20-28(21-19-27)44(3,37)38)36(2)32-23-22-29(25-30(31)32)46(41,42)43/h18-23,25-26,35H,4-17,24H2,1-3H3,(H,41,42,43)