3-azanyl-4-(2-chloranyl-1-sulfino-ethyl)benzenesulfonic acid

Systemtic Name: 3-azanyl-4-(2-chloranyl-1-sulfino-ethyl)benzenesulfonic acid Openeye Name: 3-amino-4-(2-chloro-1-sulfino-ethyl)benzenesulfonic acid CAS Name: 3-amino-4-(2-chloro-1-sulfinoethyl)benzenesulfonic acid IUPAC Name: 3-amino-4-(2-chloro-1-sulfinoethyl)benzenesulfonic acid Traditional Name: 3-amino-4-(2-chloro-1-sulfino-ethyl)besylic acid Formula: C8H10ClNO5S2 MolecularWeight: 299.7517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10ClNO5S2/c9-4-8(16(11)12)6-2-1-5(3-7(6)10)17(13,14)15/h1-3,8H,4,10H2,(H,11,12)(H,13,14,15)