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Reference substances

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General information

Inventory

EC number:
222-529-8
EC name:
Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium, sodium salt
CAS number:
3520-42-1

No inventory information available

Reference substance information

IUPAC name:
sodium 4-[3,6-bis(diethylamino)-2,7-dimethylxanthenium-9-yl]benzene-1,3-disulfonate; 2-(3-diethylamino-6-diethylazaniumylidene-xanthen-9-yl)-5-sulfo-benzenesulfonate

CAS information

CAS number:
3520-42-1

Molecular and structural information

Molecular formula:
C27H30N2O7S2.Na
Molecular weight:
580.655
SMILES notation:
CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])N(CC)CC.[Na+]
InChl:
1S/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
Structural formula:
Chemical structure