4-azanyl-6-(2-hydroxyethylsulfonyl)benzene-1,3-disulfonic acid

Systemtic Name: 4-azanyl-6-(2-hydroxyethylsulfonyl)benzene-1,3-disulfonic acid Openeye Name: 4-amino-6-(2-hydroxyethylsulfonyl)benzene-1,3-disulfonic acid CAS Name: 4-amino-6-(2-hydroxyethylsulfonyl)benzene-1,3-disulfonic acid IUPAC Name: 4-amino-6-(2-hydroxyethylsulfonyl)benzene-1,3-disulfonic acid Traditional Name: 4-amino-6-(2-hydroxyethylsulfonyl)benzene-1,3-disulfonic acid Formula: C8H11NO9S3 MolecularWeight: 361.36924

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)CCO)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)CCO)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C8H11NO9S3/c9-5-3-7(19(11,12)2-1-10)8(21(16,17)18)4-6(5)20(13,14)15/h3-4,10H,1-2,9H2,(H,13,14,15)(H,16,17,18)