5-azanyl-2,4-bis(2-hydroxyethylsulfonyl)benzoic acid

Systemtic Name: 5-azanyl-2,4-bis(2-hydroxyethylsulfonyl)benzoic acid Openeye Name: 5-amino-2,4-bis(2-hydroxyethylsulfonyl)benzoic acid CAS Name: 5-amino-2,4-bis(2-hydroxyethylsulfonyl)benzoic acid IUPAC Name: 5-amino-2,4-bis(2-hydroxyethylsulfonyl)benzoic acid Traditional Name: 5-amino-2,4-bis(2-hydroxyethylsulfonyl)benzoic acid Formula: C11H15NO8S2 MolecularWeight: 353.3687

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N)S(=O)(=O)CCO)S(=O)(=O)CCO)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1N)S(=O)(=O)CCO)S(=O)(=O)CCO)C(=O)O

InChI

InChI=1S/C11H15NO8S2/c12-8-5-7(11(15)16)9(21(17,18)3-1-13)6-10(8)22(19,20)4-2-14/h5-6,13-14H,1-4,12H2,(H,15,16)