pentasodium 7-[[5-carboxy-8-[(4-oxidanidylperoxysulfanylphenyl)carbamoyl]-4-[(8-oxidanidylperoxysulfanyl-5-sulfonato-naphthalen-2-yl)carbamoyl]naphthalen-1-yl]carbonylamino]-4-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate

Systemtic Name: pentasodium 7-[[5-carboxy-8-[(4-oxidanidylperoxysulfanylphenyl)carbamoyl]-4-[(8-oxidanidylperoxysulfanyl-5-sulfonato-naphthalen-2-yl)carbamoyl]naphthalen-1-yl]carbonylamino]-4-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate Openeye Name: pentasodium 7-[[5-carboxy-8-[(4-oxidoperoxysulfanylphenyl)carbamoyl]-4-[(8-oxidoperoxysulfanyl-5-sulfonato-2-naphthyl)carbamoyl]naphthalene-1-carbonyl]amino]-4-oxidoperoxysulfanyl-naphthalene-1-sulfonate CAS Name: pentasodium 7-[[[5-carboxy-8-[[4-(oxidodioxythio)anilino]-oxomethyl]-4-[[[8-(oxidodioxythio)-5-sulfonato-2-naphthalenyl]amino]-oxomethyl]-1-naphthalenyl]-oxomethyl]amino]-4-(oxidodioxythio)-1-naphthalenesulfonate IUPAC Name: pentasodium 7-[[5-carboxy-8-[(4-oxidoperoxysulfanylphenyl)carbamoyl]-4-[(8-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]naphthalene-1-carbonyl]amino]-4-oxidoperoxysulfanylnaphthalene-1-sulfonate Traditional Name: pentasodium 7-[[5-carboxy-8-[[4-(oxidoperoxythio)phenyl]carbamoyl]-4-[[8-(oxidoperoxythio)-5-sulfonato-2-naphthyl]carbamoyl]-1-naphthoyl]amino]-4-(oxidoperoxythio)naphthalene-1-sulfonate Formula: C40H22N3Na5O20S5 MolecularWeight: 1139.88463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC=C(C3=C(C=CC(=C23)C(=O)NC4=CC5=C(C=CC(=C5C=C4)SOO[O-])S(=O)(=O)[O-])C(=O)NC6=CC7=C(C=CC(=C7C=C6)S(=O)(=O)[O-])SOO[O-])C(=O)O)SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC=C(C3=C(C=CC(=C23)C(=O)NC4=CC5=C(C=CC(=C5C=C4)SOO[O-])S(=O)(=O)[O-])C(=O)NC6=CC7=C(C=CC(=C7C=C6)S(=O)(=O)[O-])SOO[O-])C(=O)O)SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C40H27N3O20S5.5Na/c44-37(41-19-1-5-22(6-2-19)64-61-58-49)26-11-12-28(40(47)48)36-27(39(46)42-20-4-8-24-29(17-20)32(66-63-60-51)14-15-33(24)67(52,53)54)10-9-25(35(26)36)38(45)43-21-3-7-23-30(18-21)34(68(55,56)57)16-13-31(23)65-62-59-50;;;;;/h1-18,49-51H,(H,41,44)(H,42,46)(H,43,45)(H,47,48)(H,52,53,54)(H,55,56,57);;;;;/q;5*+1/p-5