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

Systemtic Name: [3-[(E)-[(5-decyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [3-[(E)-[(5-decyl-4-oxo-thiazol-2-yl)hydrazono]methyl]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [3-[(E)-[(5-decyl-4-oxo-2-thiazolyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(5-decyl-4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-[(E)-[(5-decyl-4-keto-2-thiazolin-2-yl)hydrazono]methyl]phenyl] ester Formula: C30H41N3O4S2 MolecularWeight: 571.79424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1C(=O)N=C(S1)NN=CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCC1C(=O)N=C(S1)N/N=C/C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H41N3O4S2/c1-5-6-7-8-9-10-11-12-16-27-28(34)32-29(38-27)33-31-22-23-14-13-15-25(21-23)37-39(35,36)26-19-17-24(18-20-26)30(2,3)4/h13-15,17-22,27H,5-12,16H2,1-4H3,(H,32,33,34)/b31-22+