2-[(E)-[[5-[[6-(2,4-diethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-hexyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-[[5-[[6-(2,4-diethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-hexyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Openeye Name: 2-[(E)-[[5-[[6-(2,4-diethyl-5-hydroxy-phenoxy)-2,2-dimethyl-hexyl]carbamoyl]-2-pyridyl]hydrazono]methyl]benzenesulfonic acid CAS Name: 2-[(E)-[[5-[[[6-(2,4-diethyl-5-hydroxyphenoxy)-2,2-dimethylhexyl]amino]-oxomethyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-[[5-[[6-(2,4-diethyl-5-hydroxyphenoxy)-2,2-dimethylhexyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Traditional Name: 2-[(E)-[[5-[[6-(2,4-diethyl-5-hydroxy-phenoxy)-2,2-dimethyl-hexyl]carbamoyl]-2-pyridyl]hydrazono]methyl]besylic acid Formula: C31H40N4O6S MolecularWeight: 596.7375

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1O)OCCCCC(C)(C)CNC(=O)C2=CN=C(C=C2)NN=CC3=CC=CC=C3S(=O)(=O)O)CC

Isomeric SMILES

CCC1=CC(=C(C=C1O)OCCCCC(C)(C)CNC(=O)C2=CN=C(C=C2)N/N=C/C3=CC=CC=C3S(=O)(=O)O)CC

InChI

InChI=1S/C31H40N4O6S/c1-5-22-17-23(6-2)27(18-26(22)36)41-16-10-9-15-31(3,4)21-33-30(37)25-13-14-29(32-19-25)35-34-20-24-11-7-8-12-28(24)42(38,39)40/h7-8,11-14,17-20,36H,5-6,9-10,15-16,21H2,1-4H3,(H,32,35)(H,33,37)(H,38,39,40)/b34-20+