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Reference substances

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General information

Inventory

EC number:
240-245-2
EC name:
Disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
CAS number:
16090-02-1

No inventory information available

Reference substance information

IUPAC name:
disodium 5-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-[(E)-2-(4-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate
Synonyms
Names:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[ 5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin -2-yl]amino]-, disodium salt
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Identifier:
CAS number
16090-02-1
Identifier:
IUPAC name
disodium 5-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-[(E)-2-(4-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate
Identifier:
other: SMILES notation
[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)[O-]
Identifier:
other: InChl
1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
Identifier:
other: Molecular formula
C40H38N12Na2O8S2
Identifier:
other: Molecular formula
C40H38N12O8S2.2Na
Identifier:
other: SMILES notation
c1(N2CCOCC2)nc(Nc2cc(c(\C=C\c3c(cc(Nc4nc(N5CCOCC5)nc(n4)Nc4ccccc4)cc3)S(=O)(=O)[O-])cc2)S(=O)(=O)[O-])nc(n1)Nc1ccccc1.[Na+].[Na+]
disodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}

CAS information

CAS number:
16090-02-1

Molecular and structural information

Molecular formula:
C40H40N12O8S2.2Na
Molecular weight:
924.915
SMILES notation:
[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)[O-]
InChl:
InChI=1/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2
Structural formula:
Chemical structure