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

Systemtic Name: 2-azanyl-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-amino-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-amino-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-amino-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-amino-4-(2-sulfoxyethylsulfonyl)besylic acid Formula: C8H11NO9S3 MolecularWeight: 361.36924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO9S3/c9-7-5-6(1-2-8(7)20(12,13)14)19(10,11)4-3-18-21(15,16)17/h1-2,5H,3-4,9H2,(H,12,13,14)(H,15,16,17)