3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate

Systemtic Name: 3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Openeye Name: 3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate CAS Name: 3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate IUPAC Name: 3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Traditional Name: 3-methylol-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Formula: C8H15NO3S MolecularWeight: 205.2746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=O)S2)CO.O

Isomeric SMILES

C1CCC2C(C1)N(C(=O)S2)CO.O

InChI

InChI=1S/C8H13NO2S.H2O/c10-5-9-6-3-1-2-4-7(6)12-8(9)11;/h6-7,10H,1-5H2;1H2