disodium (6Z)-4-acetamido-6-[[4-[1-[(2-chloranyl-5-dodecoxycarbonyl-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-dodecoxycarbonyl-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-dodecoxycarbonyl-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-[dodecoxy(oxo)methyl]anilino]-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-dodecoxycarbonylanilino)-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-lauryloxycarbonyl-phenyl)carbamoyl]-2-keto-2-(4-methoxyphenyl)ethoxy]phenyl]hydrazono]-5-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C47H49ClN4Na2O14S2 MolecularWeight: 1039.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=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

CCCCCCCCCCCCOC(=O)C1=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/C47H51ClN4O14S2.2Na/c1-4-5-6-7-8-9-10-11-12-13-24-63-47(57)31-16-23-37(48)38(26-31)50-46(56)45(43(54)30-14-19-34(62-3)20-15-30)64-35-21-17-33(18-22-35)51-52-42-40(67-66-65-58)27-32-25-36(68(59,60)61)28-39(49-29(2)53)41(32)44(42)55;;/h14-23,25-28,45,51,58H,4-13,24H2,1-3H3,(H,49,53)(H,50,56)(H,59,60,61);;/q;2*+1/p-2/b52-42+;;