(2S,3aS,7R,7aS)-2-methyl-7-oxidanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (2S,3aS,7R,7aS)-2-methyl-7-oxidanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: (2S,3aS,7R,7aS)-7-hydroxy-2-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (2S,3aS,7R,7aS)-7-hydroxy-2-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate IUPAC Name: (2S,3aS,7R,7aS)-7-hydroxy-2-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (2S,3aS,7R,7aS)-7-hydroxy-2-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Formula: C9H11O5- MolecularWeight: 199.18064

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Descriptors Computed from Structure

Canonical SMILES:

CC1OC2C=C(CC(C2O1)O)C(=O)[O-]

Isomeric SMILES

C[C@H]1O[C@H]2C=C(C[C@H]([C@@H]2O1)O)C(=O)[O-]

InChI

InChI=1S/C9H12O5/c1-4-13-7-3-5(9(11)12)2-6(10)8(7)14-4/h3-4,6-8,10H,2H2,1H3,(H,11,12)/p-1/t4-,6+,7-,8-/m0/s1