(3aS,7aS)-4-but-3-enyl-7a-methyl-3a-oxidanyl-3,4,6,7-tetrahydro-2-benzofuran-1,5-dione

Systemtic Name: (3aS,7aS)-4-but-3-enyl-7a-methyl-3a-oxidanyl-3,4,6,7-tetrahydro-2-benzofuran-1,5-dione Openeye Name: (3aS,7aS)-4-but-3-enyl-3a-hydroxy-7a-methyl-3,4,6,7-tetrahydroisobenzofuran-1,5-dione CAS Name: (3aS,7aS)-4-but-3-enyl-3a-hydroxy-7a-methyl-3,4,6,7-tetrahydroisobenzofuran-1,5-dione IUPAC Name: (3aS,7aS)-4-but-3-enyl-3a-hydroxy-7a-methyl-3,4,6,7-tetrahydro-2-benzofuran-1,5-dione Traditional Name: (3aS,7aS)-4-but-3-enyl-3a-hydroxy-7a-methyl-3,4,6,7-tetrahydroisobenzofuran-1,5-quinone Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(C1(COC2=O)O)CCC=C

Isomeric SMILES

C[C@]12CCC(=O)C([C@]1(COC2=O)O)CCC=C

InChI

InChI=1S/C13H18O4/c1-3-4-5-9-10(14)6-7-12(2)11(15)17-8-13(9,12)16/h3,9,16H,1,4-8H2,2H3/t9?,12-,13+/m1/s1