hexasodium 4-acetyloxy-5-[[3-[[8-acetyloxy-3,6-bis(oxidanidylperoxysulfanyl)naphthalen-1-yl]carbamoyl]-5-[(8-acetyloxy-6-oxidanidylperoxysulfanyl-3-sulfonato-naphthalen-1-yl)carbamoyl]phenyl]carbonylamino]-7-oxidanidylperoxysulfanyl-naphthalene-2-sulfonate

Systemtic Name: hexasodium 4-acetyloxy-5-[[3-[[8-acetyloxy-3,6-bis(oxidanidylperoxysulfanyl)naphthalen-1-yl]carbamoyl]-5-[(8-acetyloxy-6-oxidanidylperoxysulfanyl-3-sulfonato-naphthalen-1-yl)carbamoyl]phenyl]carbonylamino]-7-oxidanidylperoxysulfanyl-naphthalene-2-sulfonate Openeye Name: hexasodium 4-acetoxy-5-[[3-[[8-acetoxy-3,6-bis(oxidoperoxysulfanyl)-1-naphthyl]carbamoyl]-5-[(8-acetoxy-6-oxidoperoxysulfanyl-3-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]-7-oxidoperoxysulfanyl-naphthalene-2-sulfonate CAS Name: hexasodium 4-acetyloxy-5-[[[3-[[[8-acetyloxy-3,6-bis(oxidodioxythio)-1-naphthalenyl]amino]-oxomethyl]-5-[[[8-acetyloxy-6-(oxidodioxythio)-3-sulfonato-1-naphthalenyl]amino]-oxomethyl]phenyl]-oxomethyl]amino]-7-(oxidodioxythio)-2-naphthalenesulfonate IUPAC Name: hexasodium 4-acetyloxy-5-[[3-[[8-acetyloxy-3,6-bis(oxidoperoxysulfanyl)naphthalen-1-yl]carbamoyl]-5-[(8-acetyloxy-6-oxidoperoxysulfanyl-3-sulfonatonaphthalen-1-yl)carbamoyl]benzoyl]amino]-7-oxidoperoxysulfanylnaphthalene-2-sulfonate Traditional Name: hexasodium 4-acetoxy-5-[[3-[[8-acetoxy-3,6-bis(oxidoperoxythio)-1-naphthyl]carbamoyl]-5-[[8-acetoxy-6-(oxidoperoxythio)-3-sulfonato-1-naphthyl]carbamoyl]benzoyl]amino]-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C45H27N3Na6O27S6 MolecularWeight: 1372.0284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC2=CC(=CC(=C21)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC(=CC5=CC(=CC(=C54)OC(=O)C)SOO[O-])S(=O)(=O)[O-])C(=O)NC6=C7C(=CC(=C6)SOO[O-])C=C(C=C7OC(=O)C)S(=O)(=O)[O-])SOO[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)OC1=CC(=CC2=CC(=CC(=C21)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC(=CC5=CC(=CC(=C54)OC(=O)C)SOO[O-])S(=O)(=O)[O-])C(=O)NC6=C7C(=CC(=C6)SOO[O-])C=C(C=C7OC(=O)C)S(=O)(=O)[O-])SOO[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C45H33N3O27S6.6Na/c1-19(49)65-37-15-30(78-74-70-57)8-22-7-28(76-72-68-55)13-34(40(22)37)46-43(52)25-4-26(44(53)47-35-14-29(77-73-69-56)9-23-12-33(81(62,63)64)18-39(41(23)35)67-21(3)51)6-27(5-25)45(54)48-36-17-32(80(59,60)61)11-24-10-31(79-75-71-58)16-38(42(24)36)66-20(2)50;;;;;;/h4-18,55-58H,1-3H3,(H,46,52)(H,47,53)(H,48,54)(H,59,60,61)(H,62,63,64);;;;;;/q;6*+1/p-6