Registration Dossier
Registration Dossier
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EC number: 270-931-7 | CAS number: 68510-93-0
Reference substances
- IUPAC name:
- 4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)
Inventory
- EC number:
- 227-030-9
- EC name:
- 4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
- CAS number:
- 5610-94-6
- CAS number:
- 5610-94-6
Synonyms
- Names:
- 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 4-benzoyl-1,2,3-benzenetriyl ester
- Identifier:
- IUPAC name
- 5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-2-diazonionaphthalen-1-olate
- Identifier:
- other: InChl
- 1S/C43H22N6O13S3/c44-47-31-19-15-24-27(39(31)51)9-4-12-35(24)63(54,55)60-34-22-18-30(38(50)23-7-2-1-3-8-23)42(61-64(56,57)36-13-5-10-28-25(36)16-20-32(48-45)40(28)52)43(34)62-65(58,59)37-14-6-11-29-26(37)17-21-33(49-46)41(29)53/h1-22H
- Identifier:
- other: SMILES notation
- C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4[O-])[N+]#N)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N)OS(=O)(=O)C7=CC=CC8=C7C=CC(=C8[O-])[N+]#N
- Identifier:
- other: Molecular formula
- C43H22N6O13S3
- Identifier:
- other: InChl
- InChI=1/C43H22N6O13S3/c44-47-31-19-15-24-27(39(31)51)9-4-12-35(24)63(54,55)60-34-22-18-30(38(50)23-7-2-1-3-8-23)42(61-64(56,57)36-13-5-10-28-25(36)16-20-32(48-45)40(28)52)43(34)62-65(58,59)37-14-6-11-29-26(37)17-21-33(49-46)41(29)53/h1-22H
- Identifier:
- other: SMILES notation
- [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c3OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)C1=O
Molecular and structural information
- Molecular formula:
- C109H58N14O33S7
- Molecular weight:
- ca. 926.86
- SMILES notation:
- O=C1c2cccc(c2C=C\C1=[N+]=[N-])S(=O)(=O)Oc7c(ccc(OS(=O)(=O)c4cccc3C(=O)C(=[N+]=[N-])/C=Cc34)c7OS(=O)(=O)c6cccc5c6C=C/C(=[N+]=[N-])C5=O)C(=O)c8ccccc8
- InChl:
- InChI=1S/C43H22N6O13S3/c44-47-31-19-15-24-27(39(31)51)9-4-12-35(24)63(54,55)60-34-22-18-30(38(50)23-7-2-1-3-8-23)42(61-64(56,57)36-13-5-10-28-25(36)16-20-32(48-45)40(28)52)43(34)62-65(58,59)37-14-6-11-29-26(37)17-21-33(49-46)41(29)53/h1-22H
- Structural formula:
Related substances
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