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

Systemtic Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-phenylphenyl)quinoline-6-sulfonic acid Openeye Name: 4-(hexadecylsulfonylhydrazono)-1-methyl-2-(4-phenylphenyl)quinoline-6-sulfonic acid CAS Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-phenylphenyl)-6-quinolinesulfonic acid IUPAC Name: 4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-phenylphenyl)quinoline-6-sulfonic acid Traditional Name: 4-(cetylsulfonylhydrazono)-1-methyl-2-(4-phenylphenyl)quinoline-6-sulfonic acid Formula: C38H51N3O5S2 MolecularWeight: 693.95864

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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)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NN=C1C=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C38H51N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-47(42,43)40-39-36-30-38(33-24-22-32(23-25-33)31-20-17-16-18-21-31)41(2)37-27-26-34(29-35(36)37)48(44,45)46/h16-18,20-27,29-30,40H,3-15,19,28H2,1-2H3,(H,44,45,46)