6-(3H-1,2-benzoxazol-2-yl)hexane-1-sulfonic acid

Systemtic Name: 6-(3H-1,2-benzoxazol-2-yl)hexane-1-sulfonic acid Openeye Name: 6-(3H-1,2-benzoxazol-2-yl)hexane-1-sulfonic acid CAS Name: 6-(3H-1,2-benzoxazol-2-yl)-1-hexanesulfonic acid IUPAC Name: 6-(3H-1,2-benzoxazol-2-yl)hexane-1-sulfonic acid Traditional Name: 6-(3H-indoxazen-2-yl)hexane-1-sulfonic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2ON1CCCCCCS(=O)(=O)O

Isomeric SMILES

C1C2=CC=CC=C2ON1CCCCCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO4S/c15-19(16,17)10-6-2-1-5-9-14-11-12-7-3-4-8-13(12)18-14/h3-4,7-8H,1-2,5-6,9-11H2,(H,15,16,17)