2,2-dimethyl-5-oxidanyl-7-(phenylcarbonyloxy)-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 2,2-dimethyl-5-oxidanyl-7-(phenylcarbonyloxy)-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid Openeye Name: 7-benzoyloxy-5-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid CAS Name: 7-benzoyloxy-5-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 7-benzoyloxy-5-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid Traditional Name: 7-benzoyloxy-5-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylic acid Formula: C17H20O7 MolecularWeight: 336.3365

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC(CC(C2O1)OC(=O)C3=CC=CC=C3)(C(=O)O)O)C

Isomeric SMILES

CC1(OC2CC(CC(C2O1)OC(=O)C3=CC=CC=C3)(C(=O)O)O)C

InChI

InChI=1S/C17H20O7/c1-16(2)23-12-9-17(21,15(19)20)8-11(13(12)24-16)22-14(18)10-6-4-3-5-7-10/h3-7,11-13,21H,8-9H2,1-2H3,(H,19,20)