(4E)-1-(2-chloroethyl)-4-(hexadecylsulfonylhydrazinylidene)-2-phenyl-quinoline-6-sulfonic acid

Systemtic Name: (4E)-1-(2-chloroethyl)-4-(hexadecylsulfonylhydrazinylidene)-2-phenyl-quinoline-6-sulfonic acid Openeye Name: (4E)-1-(2-chloroethyl)-4-(hexadecylsulfonylhydrazono)-2-phenyl-quinoline-6-sulfonic acid CAS Name: (4E)-1-(2-chloroethyl)-4-(hexadecylsulfonylhydrazinylidene)-2-phenyl-6-quinolinesulfonic acid IUPAC Name: (4E)-1-(2-chloroethyl)-4-(hexadecylsulfonylhydrazinylidene)-2-phenylquinoline-6-sulfonic acid Traditional Name: (4E)-4-(cetylsulfonylhydrazono)-1-(2-chloroethyl)-2-phenyl-quinoline-6-sulfonic acid Formula: C33H48ClN3O5S2 MolecularWeight: 666.33432

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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)CCCl)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C/1\C=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)CCCl)C3=CC=CC=C3

InChI

InChI=1S/C33H48ClN3O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-43(38,39)36-35-31-27-33(28-19-16-15-17-20-28)37(24-23-34)32-22-21-29(26-30(31)32)44(40,41)42/h15-17,19-22,26-27,36H,2-14,18,23-25H2,1H3,(H,40,41,42)/b35-31+