disodium (6Z)-4-acetamido-6-[[4-[1-[[5-dodecoxycarbonyl-2-(trifluoromethyl)phenyl]amino]-4,4,6,6-tetramethyl-1,3-bis(oxidanylidene)heptan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6Z)-4-acetamido-6-[[4-[1-[[5-dodecoxycarbonyl-2-(trifluoromethyl)phenyl]amino]-4,4,6,6-tetramethyl-1,3-bis(oxidanylidene)heptan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6Z)-4-acetamido-6-[[4-[1-[[5-dodecoxycarbonyl-2-(trifluoromethyl)phenyl]carbamoyl]-3,3,5,5-tetramethyl-2-oxo-hexoxy]phenyl]hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6Z)-4-acetamido-6-[[4-[1-[5-[dodecoxy(oxo)methyl]-2-(trifluoromethyl)anilino]-4,4,6,6-tetramethyl-1,3-dioxoheptan-2-yl]oxyphenyl]hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6Z)-4-acetamido-6-[[4-[1-[5-dodecoxycarbonyl-2-(trifluoromethyl)anilino]-4,4,6,6-tetramethyl-1,3-dioxoheptan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6Z)-4-acetamido-5-keto-6-[[4-[2-keto-1-[[5-lauryloxycarbonyl-2-(trifluoromethyl)phenyl]carbamoyl]-3,3,5,5-tetramethyl-hexoxy]phenyl]hydrazono]-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C49H59F3N4Na2O13S2 MolecularWeight: 1079.11651

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(F)(F)F)NC(=O)C(C(=O)C(C)(C)CC(C)(C)C)OC2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(F)(F)F)NC(=O)C(C(=O)C(C)(C)CC(C)(C)C)OC2=CC=C(C=C2)N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C49H61F3N4O13S2.2Na/c1-8-9-10-11-12-13-14-15-16-17-24-66-46(61)31-18-23-36(49(50,51)52)37(26-31)54-45(60)43(44(59)48(6,7)29-47(3,4)5)67-34-21-19-33(20-22-34)55-56-41-39(70-69-68-62)27-32-25-35(71(63,64)65)28-38(53-30(2)57)40(32)42(41)58;;/h18-23,25-28,43,55,62H,8-17,24,29H2,1-7H3,(H,53,57)(H,54,60)(H,63,64,65);;/q;2*+1/p-2/b56-41+;;