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

Systemtic Name: 1-(5-azanyl-2,4-dimethyl-phenoxy)-2-sulfooxy-ethanesulfinic acid Openeye Name: 1-(5-amino-2,4-dimethyl-phenoxy)-2-sulfooxy-ethanesulfinic acid CAS Name: 1-(5-amino-2,4-dimethylphenoxy)-2-sulfooxyethanesulfinic acid IUPAC Name: 1-(5-amino-2,4-dimethylphenoxy)-2-sulfooxyethanesulfinic acid Traditional Name: 1-(5-amino-2,4-dimethyl-phenoxy)-2-sulfoxy-ethanesulfinic acid Formula: C10H15NO7S2 MolecularWeight: 325.3586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)OC(COS(=O)(=O)O)S(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1N)OC(COS(=O)(=O)O)S(=O)O)C

InChI

InChI=1S/C10H15NO7S2/c1-6-3-7(2)9(4-8(6)11)18-10(19(12)13)5-17-20(14,15)16/h3-4,10H,5,11H2,1-2H3,(H,12,13)(H,14,15,16)