(3aS,4R,7R,7aR)-7-tert-butyl-5-methyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: (3aS,4R,7R,7aR)-7-tert-butyl-5-methyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Openeye Name: (3aS,4R,7R,7aR)-7-tert-butyl-5-methyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione CAS Name: (3aS,4R,7R,7aR)-7-tert-butyl-5-methyl-4-(phenylthio)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione IUPAC Name: (3aS,4R,7R,7aR)-7-tert-butyl-5-methyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Traditional Name: (3aS,4R,7R,7aR)-7-tert-butyl-5-methyl-4-(phenylthio)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C2C(C1SC3=CC=CC=C3)C(=O)OC2=O)C(C)(C)C

Isomeric SMILES

CC1=C[C@H]([C@@H]2[C@H]([C@H]1SC3=CC=CC=C3)C(=O)OC2=O)C(C)(C)C

InChI

InChI=1S/C19H22O3S/c1-11-10-13(19(2,3)4)14-15(18(21)22-17(14)20)16(11)23-12-8-6-5-7-9-12/h5-10,13-16H,1-4H3/t13-,14-,15-,16+/m1/s1