disodium (6Z)-4-acetamido-6-[[4-[1-[(2-chloranyl-5-methyl-phenyl)amino]-3-(4-methoxyphenyl)-1,3-bis(oxidanylidene)propan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6Z)-4-acetamido-6-[[4-[1-[(2-chloranyl-5-methyl-phenyl)amino]-3-(4-methoxyphenyl)-1,3-bis(oxidanylidene)propan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6Z)-4-acetamido-6-[[4-[1-[(2-chloro-5-methyl-phenyl)carbamoyl]-2-(4-methoxyphenyl)-2-oxo-ethoxy]phenyl]hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6Z)-4-acetamido-6-[[4-[1-(2-chloro-5-methylanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]oxyphenyl]hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6Z)-4-acetamido-6-[[4-[1-(2-chloro-5-methylanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6Z)-4-acetamido-6-[[4-[1-[(2-chloro-5-methyl-phenyl)carbamoyl]-2-keto-2-(4-methoxyphenyl)ethoxy]phenyl]hydrazono]-5-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C35H27ClN4Na2O12S2 MolecularWeight: 841.17102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)NN=C4C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C35H29ClN4O12S2.2Na/c1-18-4-13-26(36)27(14-18)38-35(44)34(32(42)20-5-9-23(49-3)10-6-20)50-24-11-7-22(8-12-24)39-40-31-29(53-52-51-45)16-21-15-25(54(46,47)48)17-28(37-19(2)41)30(21)33(31)43;;/h4-17,34,39,45H,1-3H3,(H,37,41)(H,38,44)(H,46,47,48);;/q;2*+1/p-2/b40-31+;;