4-azanyl-2,3-bis(2-oxidanylpropyl)benzenesulfonic acid

Systemtic Name: 4-azanyl-2,3-bis(2-oxidanylpropyl)benzenesulfonic acid Openeye Name: 4-amino-2,3-bis(2-hydroxypropyl)benzenesulfonic acid CAS Name: 4-amino-2,3-bis(2-hydroxypropyl)benzenesulfonic acid IUPAC Name: 4-amino-2,3-bis(2-hydroxypropyl)benzenesulfonic acid Traditional Name: 4-amino-2,3-bis(2-hydroxypropyl)besylic acid Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC(=C1CC(C)O)S(=O)(=O)O)N)O

Isomeric SMILES

CC(CC1=C(C=CC(=C1CC(C)O)S(=O)(=O)O)N)O

InChI

InChI=1S/C12H19NO5S/c1-7(14)5-9-10(6-8(2)15)12(19(16,17)18)4-3-11(9)13/h3-4,7-8,14-15H,5-6,13H2,1-2H3,(H,16,17,18)