(2R)-3-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: (2R)-3-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-oxidanyl-propane-1-sulfonic acid Openeye Name: (2R)-3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-hydroxy-propane-1-sulfonic acid CAS Name: (2R)-3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-hydroxy-1-propanesulfonic acid IUPAC Name: (2R)-3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-hydroxypropane-1-sulfonic acid Traditional Name: (2R)-3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-hydroxy-propane-1-sulfonic acid Formula: C11H13ClNO4S2+ MolecularWeight: 322.80822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CC(CS(=O)(=O)O)O

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)C[C@H](CS(=O)(=O)O)O

InChI

InChI=1S/C11H12ClNO4S2/c1-7-13(5-9(14)6-19(15,16)17)10-4-8(12)2-3-11(10)18-7/h2-4,9,14H,5-6H2,1H3/p+1/t9-/m1/s1