(2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrakis(oxidanyl)pentanoic acid

Systemtic Name: (2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrakis(oxidanyl)pentanoic acid Openeye Name: (2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxy-pentanoic acid CAS Name: (2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxypentanoic acid IUPAC Name: (2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxypentanoic acid Traditional Name: (2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxy-valeric acid Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C(C(C(C(=O)O)O)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[C@@H]([C@@H]([C@@H]([C@@H](C(=O)O)O)O)O)O

InChI

InChI=1S/C12H13NO6S/c14-7(8(15)10(17)12(18)19)9(16)11-13-5-3-1-2-4-6(5)20-11/h1-4,7-10,14-17H,(H,18,19)/t7-,8+,9-,10+/m1/s1