[2-[(E)-[(5-decyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methyl-phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [2-[(E)-[(5-decyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methyl-phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [2-[(E)-[(5-decyl-4-oxo-thiazol-2-yl)hydrazono]methyl]-4-methyl-phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [2-[(E)-[(5-decyl-4-oxo-2-thiazolyl)hydrazinylidene]methyl]-4-methylphenyl] ester IUPAC Name: [2-[(E)-[(5-decyl-4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methylphenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [2-[(E)-[(5-decyl-4-keto-2-thiazolin-2-yl)hydrazono]methyl]-4-methyl-phenyl] ester Formula: C28H36N4O6S2 MolecularWeight: 588.73864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1C(=O)N=C(S1)NN=CC2=C(C=CC(=C2)C)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCC1C(=O)N=C(S1)N/N=C/C2=C(C=CC(=C2)C)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C28H36N4O6S2/c1-4-5-6-7-8-9-10-11-12-25-27(33)30-28(39-25)31-29-19-22-17-20(2)13-16-24(22)38-40(36,37)26-18-23(32(34)35)15-14-21(26)3/h13-19,25H,4-12H2,1-3H3,(H,30,31,33)/b29-19+