625-04-7 Purity
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Specification
The molecular formula is C10H8O10S3.
The molecular weight is 384.4 g/mol.
The IUPAC name is 7-hydroxynaphthalene-1,3,6-trisulfonic acid.
The InChI is InChI=1S/C10H8O10S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20).
The InChIKey is ANYNWDCUWOSEFH-UHFFFAOYSA-N.
The canonical SMILES is C1=C2C=C(C(=CC2=C(C=C1S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O.
The CAS number is 6259-66-1.
The European Community (EC) number is 228-407-0.
The UNII is 2CXX7DB88J.
Yes, it is a canonicalized compound.