5-azanyl-2-(2-sulfooxyethylamino)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-(2-sulfooxyethylamino)benzenesulfonic acid Openeye Name: 5-amino-2-(2-sulfooxyethylamino)benzenesulfonic acid CAS Name: 5-amino-2-(2-sulfooxyethylamino)benzenesulfonic acid IUPAC Name: 5-amino-2-(2-sulfooxyethylamino)benzenesulfonic acid Traditional Name: 5-amino-2-(2-sulfoxyethylamino)besylic acid Formula: C8H12N2O7S2 MolecularWeight: 312.32008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O7S2/c9-6-1-2-7(8(5-6)18(11,12)13)10-3-4-17-19(14,15)16/h1-2,5,10H,3-4,9H2,(H,11,12,13)(H,14,15,16)