(3aS,7R,7aS)-2,2-dimethyl-7-oxidanyl-3a-(phenylmethyl)-7,7a-dihydro-1,3-benzodioxol-4-one

Systemtic Name: (3aS,7R,7aS)-2,2-dimethyl-7-oxidanyl-3a-(phenylmethyl)-7,7a-dihydro-1,3-benzodioxol-4-one Openeye Name: (3aS,7R,7aS)-3a-benzyl-7-hydroxy-2,2-dimethyl-7,7a-dihydro-1,3-benzodioxol-4-one CAS Name: (3aS,7R,7aS)-7-hydroxy-2,2-dimethyl-3a-(phenylmethyl)-7,7a-dihydro-1,3-benzodioxol-4-one IUPAC Name: (3aS,7R,7aS)-3a-benzyl-7-hydroxy-2,2-dimethyl-7,7a-dihydro-1,3-benzodioxol-4-one Traditional Name: (3aS,7R,7aS)-3a-benzyl-7-hydroxy-2,2-dimethyl-7,7a-dihydro-1,3-benzodioxol-4-one Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C=CC(=O)C2(O1)CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(O[C@H]2[C@@H](C=CC(=O)[C@]2(O1)CC3=CC=CC=C3)O)C

InChI

InChI=1S/C16H18O4/c1-15(2)19-14-12(17)8-9-13(18)16(14,20-15)10-11-6-4-3-5-7-11/h3-9,12,14,17H,10H2,1-2H3/t12-,14+,16-/m1/s1