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

Systemtic Name: 6-bromanyl-3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Openeye Name: 6-bromo-3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate CAS Name: 6-bromo-3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate IUPAC Name: 6-bromo-3-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Traditional Name: 6-bromo-3-methylol-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Formula: C8H14BrNO3S MolecularWeight: 284.17066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1Br)SC(=O)N2CO.O

Isomeric SMILES

C1CC2C(CC1Br)SC(=O)N2CO.O

InChI

InChI=1S/C8H12BrNO2S.H2O/c9-5-1-2-6-7(3-5)13-8(12)10(6)4-11;/h5-7,11H,1-4H2;1H2