(3aS,4S,7aS)-4-methyl-5-phenylsulfanyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: (3aS,4S,7aS)-4-methyl-5-phenylsulfanyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Openeye Name: (3aS,4S,7aS)-4-methyl-5-phenylsulfanyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione CAS Name: (3aS,4S,7aS)-4-methyl-5-(phenylthio)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione IUPAC Name: (3aS,4S,7aS)-4-methyl-5-phenylsulfanyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Traditional Name: (3aS,4S,7aS)-4-methyl-5-(phenylthio)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone Formula: C15H14O3S MolecularWeight: 274.33486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC=C1SC3=CC=CC=C3)C(=O)OC2=O

Isomeric SMILES

C[C@H]1[C@@H]2[C@H](CC=C1SC3=CC=CC=C3)C(=O)OC2=O

InChI

InChI=1S/C15H14O3S/c1-9-12(19-10-5-3-2-4-6-10)8-7-11-13(9)15(17)18-14(11)16/h2-6,8-9,11,13H,7H2,1H3/t9-,11+,13-/m1/s1