2-[[(1S,4aR,6R,7S,8aS)-6,7-bis(oxidanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy]ethanoic acid

Systemtic Name: 2-[[(1S,4aR,6R,7S,8aS)-6,7-bis(oxidanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy]ethanoic acid Openeye Name: 2-[(1S,4aR,6R,7S,8aS)-6,7-dihydroxydecalin-1-yl]oxyacetic acid CAS Name: 2-[[(1S,4aR,6R,7S,8aS)-6,7-dihydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy]acetic acid IUPAC Name: 2-[[(1S,4aR,6R,7S,8aS)-6,7-dihydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy]acetic acid Traditional Name: 2-[(1S,4aR,6R,7S,8aS)-6,7-dihydroxydecalin-1-yl]oxyacetic acid Formula: C12H20O5 MolecularWeight: 244.2842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(C(CC2C(C1)OCC(=O)O)O)O

Isomeric SMILES

C1C[C@@H]2C[C@H]([C@H](C[C@@H]2[C@H](C1)OCC(=O)O)O)O

InChI

InChI=1S/C12H20O5/c13-9-4-7-2-1-3-11(17-6-12(15)16)8(7)5-10(9)14/h7-11,13-14H,1-6H2,(H,15,16)/t7-,8+,9-,10+,11+/m1/s1