CAS
85631-71-6 Purity
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85631-71-6 Purity
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Sodium 2-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthryl)amino]-4-[[2-(sulfooxy)ethyl]sulfonyl]benzoate
CAS
85631-81-8
Catalog Number
ACM85631818
Category
Other Products
Molecular Weight
692.535110 [g/mol]
Molecular Formula
C23H15N2Na3O13S3
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Specification
Synonyms
EINECS 288-030-2, 85631-81-8, Sodium 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-4-((2-(sulphooxy)ethyl)sulphonyl)benzoate
IUPAC Name
trisodium 2-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-4-(2-sulfonatooxyethylsulfonyl)benzoate
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=CC(=C4)S(=O)(=O)CCOS(=O)(=O)O)C(=O)[O-])S(=O)(=O)O)N.[Na+]
InChI Key
SQKJVCVSEFNCTC-UHFFFAOYSA-K
EC Number
288-030-2
Exact Mass
647.97900
H-Bond Acceptor
15
H-Bond Donor
2
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