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

Systemtic Name: disodium (6Z)-4-acetamido-6-[[4-[1-[[2-chloranyl-5-(dodecylsulfonylamino)phenyl]amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6Z)-4-acetamido-6-[[4-[1-[[2-chloro-5-(dodecylsulfonylamino)phenyl]carbamoyl]-3,3-dimethyl-2-oxo-butoxy]phenyl]hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6Z)-4-acetamido-6-[[4-[1-[2-chloro-5-(dodecylsulfonylamino)anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxyphenyl]hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6Z)-4-acetamido-6-[[4-[1-[2-chloro-5-(dodecylsulfonylamino)anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6Z)-4-acetamido-6-[[4-[1-[[2-chloro-5-(laurylsulfonylamino)phenyl]carbamoyl]-2-keto-3,3-dimethyl-butoxy]phenyl]hydrazono]-5-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C43H52ClN5Na2O13S3 MolecularWeight: 1024.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(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

CCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(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/C43H54ClN5O13S3.2Na/c1-6-7-8-9-10-11-12-13-14-15-22-64(55,56)49-30-18-21-33(44)34(25-30)46-42(53)40(41(52)43(3,4)5)60-31-19-16-29(17-20-31)47-48-38-36(63-62-61-54)24-28-23-32(65(57,58)59)26-35(45-27(2)50)37(28)39(38)51;;/h16-21,23-26,40,47,49,54H,6-15,22H2,1-5H3,(H,45,50)(H,46,53)(H,57,58,59);;/q;2*+1/p-2/b48-38+;;