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Reference substances

Reference substances

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General information

Inventory

EC number:
246-758-8
EC name:
4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid
CAS number:
25251-42-7

No inventory information available

Reference substance information

IUPAC name:
4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid
Synonyms
Names:
2-Naphthalenesulfonic acid, 4-hydroxy-6-[(3-sulfophenyl)amino]-
Identifier:
CAS number
25251-42-7
Identifier:
other: InChl
InChI=1/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)
Identifier:
other: SMILES notation
Oc1cc(cc2ccc(Nc3cccc(c3)S(=O)(=O)O)cc12)S(=O)(=O)O
4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid

CAS information

CAS number:
25251-42-7

Molecular and structural information

Molecular formula:
C16H13NO7S2
Molecular weight:
395.411
SMILES notation:
c1cc(cc(c1)S(=O)(=O)O)Nc2ccc3cc(cc(c3c2)O)S(=O)(=O)O
InChl:
1S/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)
Structural formula:
Chemical structure