(3aR,7aS)-7a-[bis(phenylmethoxy)methyl]-7-bromanyl-4,5-dihydro-3aH-1,3-benzodioxole-2-thione

Systemtic Name: (3aR,7aS)-7a-[bis(phenylmethoxy)methyl]-7-bromanyl-4,5-dihydro-3aH-1,3-benzodioxole-2-thione Openeye Name: (3aR,7aS)-7-bromo-7a-(dibenzyloxymethyl)-4,5-dihydro-3aH-1,3-benzodioxole-2-thione CAS Name: (3aR,7aS)-7a-[bis(phenylmethoxy)methyl]-7-bromo-4,5-dihydro-3aH-1,3-benzodioxole-2-thione IUPAC Name: (3aR,7aS)-7a-[bis(phenylmethoxy)methyl]-7-bromo-4,5-dihydro-3aH-1,3-benzodioxole-2-thione Traditional Name: (3aR,7aS)-7-bromo-7a-(dibenzoxymethyl)-4,5-dihydro-3aH-1,3-benzodioxole-2-thione Formula: C22H21BrO4S MolecularWeight: 461.36874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(=C1)Br)(OC(=S)O2)C(OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]2[C@](C(=C1)Br)(OC(=S)O2)C(OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrO4S/c23-18-12-7-13-19-22(18,27-21(28)26-19)20(24-14-16-8-3-1-4-9-16)25-15-17-10-5-2-6-11-17/h1-6,8-12,19-20H,7,13-15H2/t19-,22+/m1/s1