(5aR,9aR)-4-chloranyl-5a,6,7,8,9,9a-hexahydrophenoxathiin-3-ol

Systemtic Name: (5aR,9aR)-4-chloranyl-5a,6,7,8,9,9a-hexahydrophenoxathiin-3-ol Openeye Name: (5aR,9aR)-4-chloro-5a,6,7,8,9,9a-hexahydrophenoxathiin-3-ol CAS Name: (5aR,9aR)-4-chloro-5a,6,7,8,9,9a-hexahydrophenoxathiin-3-ol IUPAC Name: (5aR,9aR)-4-chloro-5a,6,7,8,9,9a-hexahydrophenoxathiin-3-ol Traditional Name: (5aR,9aR)-4-chloro-5a,6,7,8,9,9a-hexahydrophenoxathiin-3-ol Formula: C12H13ClO2S MolecularWeight: 256.74842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)OC3=C(S2)C=CC(=C3Cl)O

Isomeric SMILES

C1CC[C@@H]2[C@@H](C1)OC3=C(S2)C=CC(=C3Cl)O

InChI

InChI=1S/C12H13ClO2S/c13-11-7(14)5-6-10-12(11)15-8-3-1-2-4-9(8)16-10/h5-6,8-9,14H,1-4H2/t8-,9-/m1/s1