2,2-dimethyl-7-(phenylcarbonyloxy)-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: 2,2-dimethyl-7-(phenylcarbonyloxy)-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: 7-benzoyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: 7-benzoyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate IUPAC Name: 7-benzoyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-benzoyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Formula: C17H17O6- MolecularWeight: 317.31328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C17H18O6/c1-17(2)22-13-9-11(15(18)19)8-12(14(13)23-17)21-16(20)10-6-4-3-5-7-10/h3-7,9,12-14H,8H2,1-2H3,(H,18,19)/p-1