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Reference substances

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IUPAC name:
disodium 1-amino-9,10-dioxo-4-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate

Inventory

EC number:
240-267-2
EC name:
Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]anthracene-2-sulphonate
CAS number:
16102-99-1
CAS number:
16102-99-1

Synonyms

Molecular and structural information

Molecular formula:
C22H18N2O11S3.2Na
C22H16N2Na2O11S3
Molecular weight:
626.544
SMILES notation:
[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-]
InChl:
InChI=1/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-4-2-1-3-14(15)21(18)25)24-12-5-7-13(8-6-12)36(27,28)10-9-35-38(32,33)34;;/h1-8,11,24H,9-10,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
Structural formula:
Chemical structure

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