(3aS,7Z,7aS)-6-methyl-7-(phenylsulfinylmethylidene)-4,7a-dihydro-3aH-2-benzofuran-1,3-dione

Systemtic Name: (3aS,7Z,7aS)-6-methyl-7-(phenylsulfinylmethylidene)-4,7a-dihydro-3aH-2-benzofuran-1,3-dione Openeye Name: (3aS,7Z,7aS)-7-(benzenesulfinylmethylene)-6-methyl-4,7a-dihydro-3aH-isobenzofuran-1,3-dione CAS Name: (3aS,7Z,7aS)-7-(benzenesulfinylmethylidene)-6-methyl-4,7a-dihydro-3aH-isobenzofuran-1,3-dione IUPAC Name: (3aS,7Z,7aS)-7-(benzenesulfinylmethylidene)-6-methyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione Traditional Name: (3aS,7Z,7aS)-7-(benzenesulfinylmethylene)-6-methyl-4,7a-dihydro-3aH-isobenzofuran-1,3-quinone Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1=CS(=O)C3=CC=CC=C3)C(=O)OC2=O

Isomeric SMILES

CC\1=CC[C@H]2[C@@H](/C1=C/S(=O)C3=CC=CC=C3)C(=O)OC2=O

InChI

InChI=1S/C16H14O4S/c1-10-7-8-12-14(16(18)20-15(12)17)13(10)9-21(19)11-5-3-2-4-6-11/h2-7,9,12,14H,8H2,1H3/b13-9+/t12-,14-,21?/m0/s1