3-[4-[3,4-bis[(3-diazonio-4-oxidanidyl-1-oxidanylidene-2H-naphthalen-2-yl)sulfonyloxy]-2-oxidanyl-phenyl]carbonylphenoxy]sulfonyl-2-diazonio-4-oxidanylidene-3H-naphthalen-1-olate

Systemtic Name: 3-[4-[3,4-bis[(3-diazonio-4-oxidanidyl-1-oxidanylidene-2H-naphthalen-2-yl)sulfonyloxy]-2-oxidanyl-phenyl]carbonylphenoxy]sulfonyl-2-diazonio-4-oxidanylidene-3H-naphthalen-1-olate Openeye Name: 3-[4-[3,4-bis[(3-diazonio-4-oxido-1-oxo-2H-naphthalen-2-yl)sulfonyloxy]-2-hydroxy-benzoyl]phenoxy]sulfonyl-2-diazonio-4-oxo-3H-naphthalen-1-olate CAS Name: 3-[4-[[3,4-bis[(3-diazonio-4-oxido-1-oxo-2H-naphthalen-2-yl)sulfonyloxy]-2-hydroxyphenyl]-oxomethyl]phenoxy]sulfonyl-2-diazonio-4-oxo-3H-naphthalen-1-olate IUPAC Name: 3-[4-[3,4-bis[(3-diazonio-4-oxido-1-oxo-2H-naphthalen-2-yl)sulfonyloxy]-2-hydroxybenzoyl]phenoxy]sulfonyl-2-diazonio-4-oxo-3H-naphthalen-1-olate Traditional Name: 3-[4-[3,4-bis[(3-diazonio-1-keto-4-oxido-2H-naphthalen-2-yl)sulfonyloxy]-2-hydroxy-benzoyl]phenoxy]sulfonyl-2-diazonio-4-keto-3H-naphthalen-1-olate Formula: C43H22N6O17S3 MolecularWeight: 990.85978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(=C2[O-])[N+]#N)S(=O)(=O)OC3=CC=C(C=C3)C(=O)C4=C(C(=C(C=C4)OS(=O)(=O)C5C(=C(C6=CC=CC=C6C5=O)[O-])[N+]#N)OS(=O)(=O)C7C(=C(C8=CC=CC=C8C7=O)[O-])[N+]#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C(=C2[O-])[N+]#N)S(=O)(=O)OC3=CC=C(C=C3)C(=O)C4=C(C(=C(C=C4)OS(=O)(=O)C5C(=C(C6=CC=CC=C6C5=O)[O-])[N+]#N)OS(=O)(=O)C7C(=C(C8=CC=CC=C8C7=O)[O-])[N+]#N)O

InChI

InChI=1S/C43H22N6O17S3/c44-47-29-33(51)21-7-1-4-10-24(21)37(55)41(29)67(58,59)64-20-15-13-19(14-16-20)32(50)27-17-18-28(65-68(60,61)42-30(48-45)34(52)22-8-2-5-11-25(22)38(42)56)40(36(27)54)66-69(62,63)43-31(49-46)35(53)23-9-3-6-12-26(23)39(43)57/h1-18,41-43H,(H-3,50,51,52,53,54)