2-azanyl-4-(2-sulfooxyethylsulfonyl)benzoic acid

Systemtic Name: 2-azanyl-4-(2-sulfooxyethylsulfonyl)benzoic acid Openeye Name: 2-amino-4-(2-sulfooxyethylsulfonyl)benzoic acid CAS Name: 2-amino-4-(2-sulfooxyethylsulfonyl)benzoic acid IUPAC Name: 2-amino-4-(2-sulfooxyethylsulfonyl)benzoic acid Traditional Name: 2-amino-4-(2-sulfoxyethylsulfonyl)benzoic acid Formula: C9H11NO8S2 MolecularWeight: 325.31554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)N)C(=O)O

InChI

InChI=1S/C9H11NO8S2/c10-8-5-6(1-2-7(8)9(11)12)19(13,14)4-3-18-20(15,16)17/h1-2,5H,3-4,10H2,(H,11,12)(H,15,16,17)