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EC number: 287-574-8 | CAS number: 85536-87-4
Reference substances
- IUPAC name:
- 7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid, sodium salt
Inventory
- EC number:
- 287-574-8
- EC name:
- 7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid, sodium salt
- CAS number:
- 85536-87-4
- CAS number:
- 85536-87-4
Synonyms
- Names:
- Identifier:
- EC number
- 287-574-8
- Identifier:
- IUPAC name
- 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt
- Identifier:
- IUPAC name
- 7-Acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl] phenyl]azo]naphthalene-2-sulphonic acid, sodium salt
- Identifier:
- IUPAC name
- 7-Acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl] phenyl]azo]naphthalene-2-sulphonic acid, sodium salt
- Identifier:
- other: InChl
- 1S/C20H19N3O11S3.2Na/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-22+;
- Identifier:
- other: InChl
- 1S/C20H19N3O11S3.2Na/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-22+;;
- Identifier:
- other: Molecular formula
- C20H19N3O11S3.xNa
- Identifier:
- other: Molecular formula
- C20H19N3O11S3.xNa x=2
- Identifier:
- other: InChl
- InChI=1/C20H19N3O11S3.2Na/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-22+;; as disodium salt
- Identifier:
- other: SMILES notation
- [Na+].*.CC(=O)NC1=CC2=CC(=C(\N=N\C3=CC=C(C=C3)S(=O)(=O)CCOS([O-])(=O)=O)C(O)=C2C=C1)S([O-])(=O)=O
- Identifier:
- other: SMILES notation
- [Na+].[Na+].CC(=O)NC1=CC=C2C(O)=C(\N=N\C3=CC=C(C=C3)S(=O)(=O)CCOS([O-])(=O)=O)C(=CC2=C1)S([O-])(=O)=O
- Identifier:
- other: SMILES notation
- [Na+].[Na+].c1c(c(c(c2ccc(cc12)NC(=O)C)O)\N=N\c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-]
Molecular and structural information
- Molecular formula:
- C20H19N3O11S3.xNa
C20H(19-x)N3NaxO11S3 - Molecular weight:
- ca. 573.564 - 617.527
- SMILES notation:
- [Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)/N=N/c2c(O)c3ccc(cc3cc2S([O-])(=O)=O)NC(C)=O as disodium salt
- InChl:
- InChI=1/C20H19N3O11S3.2Na/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-22+;; as disodium salt
- Structural formula:
Related substances
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