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IUPAC name:
calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate

Inventory

EC number:
226-109-5
EC name:
Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate
CAS number:
5281-04-9
CAS number:
5281-04-9
Synonyms
Names:
2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1)
C.I. Pigment Red 57:1
TKP 50115
Identifier:
IUPAC name
C. I. Pigment 57:1
Identifier:
IUPAC name
Calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate
Identifier:
IUPAC name
calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate
Identifier:
IUPAC name
calcium 3-hydroxy-4-[(E)-2-(4-methyl-2-sulfophenyl)diazen-1-yl]naphthalene-2-carboxylate
Identifier:
IUPAC name
calcium(4Z)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate
Identifier:
other: InChl
1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16) 21)18(22)23; /h2 9,21H,1H3, (H,22,23) (H,24,25,26);/q;+2/p-2/b20-19+;
Identifier:
other: InChl
1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;
Identifier:
other: InChl
InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;
Identifier:
other: SMILES notation
[Ca++].Cc1ccc(\N=N\c2c(O)c(cc3ccccc23)C([O-])=O)c(c1)S([O-])(=O)=O
Identifier:
other: SMILES notation
c12c(c(c(C(=O)[O-])cc1cccc2)O)\N=N\ c1c(cc(C)cc1)S (=O)(=O)[O-].[Ca+2]
Identifier:
other: SMILES notation
c12c(c(c(C(=O)[O-])cc1cccc2)O)\N=N\c1c(cc(C)cc1)S(=O)(=O)[O-].[Ca+2]
calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate

Molecular and structural information

Molecular formula:
C18H14N2O6S.Ca
Molecular weight:
424.441
SMILES notation:
[Ca+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O
InChl:
InChI=1/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2
Structural formula:
Chemical structure

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