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Reference substances

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IUPAC name:
2,2'-(Ethane-1,2-diyldiimino)bis[(2-hydroxy-5-sulfophenyl)acetic acid]

Inventory

CAS number:
57368-07-7
Synonyms
Names:
EDDHSA
Salfer-S
Identifier:
IUPAC name
(2-{[Carboxy-(2-hydroxy-5-sulfo-phenyl)-methyl]-amino}-ethylamino)-(2-hydroxy-5-sulfo-phenyl)-acetic acid
Identifier:
common name
Ethylenediamine-N,N'-bis(2-hydroxy-5-sulfophenylacetic acid)
2,2'-(Ethane-1,2-diyldiimino)bis[(2-hydroxy-5-sulfophenyl)acetic acid]

Molecular and structural information

Molecular formula:
C18H20N2O12S2
Molecular weight:
520.488
SMILES notation:
O=C(O)C(NCCNC(C(=O)O)c1cc(S(=O)(=O)O)ccc1O)c2cc(S(=O)(=O)O)ccc2O
InChl:
InChI=1S/C18H20N2O12S2/c21-13-3-1-9(33(27,28)29)7-11(13)15(17(23)24)19-5-6-20-16(18(25)26)12-8-10(34(30,31)32)2-4-14(12)22/h1-4,7-8,15-16,19-22H,5-6H2,(H,23,24)(H,25,26)(H,27,28,29)(H,30,31,32)/t15-,16?/m0/s1
Structural formula:
Chemical structure

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