1-(5-azanyl-2,4-dimethanoyl-phenoxy)-2-sulfooxy-ethanesulfinic acid

Systemtic Name: 1-(5-azanyl-2,4-dimethanoyl-phenoxy)-2-sulfooxy-ethanesulfinic acid Openeye Name: 1-(5-amino-2,4-diformyl-phenoxy)-2-sulfooxy-ethanesulfinic acid CAS Name: 1-(5-amino-2,4-diformylphenoxy)-2-sulfooxyethanesulfinic acid IUPAC Name: 1-(5-amino-2,4-diformylphenoxy)-2-sulfooxyethanesulfinic acid Traditional Name: 1-(5-amino-2,4-diformyl-phenoxy)-2-sulfoxy-ethanesulfinic acid Formula: C10H11NO9S2 MolecularWeight: 353.32564

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1C=O)OC(COS(=O)(=O)O)S(=O)O)N)C=O

Isomeric SMILES

C1=C(C(=CC(=C1C=O)OC(COS(=O)(=O)O)S(=O)O)N)C=O

InChI

InChI=1S/C10H11NO9S2/c11-8-2-9(7(4-13)1-6(8)3-12)20-10(21(14)15)5-19-22(16,17)18/h1-4,10H,5,11H2,(H,14,15)(H,16,17,18)