(2S,3S,3aS)-2-(1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-3,4-dihydro-2H-1-benzofuran-5,6-dione

Systemtic Name: (2S,3S,3aS)-2-(1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-3,4-dihydro-2H-1-benzofuran-5,6-dione Openeye Name: (2S,3S,3aS)-3a-allyl-2-(1,3-benzodioxol-5-yl)-3-methyl-3,4-dihydro-2H-benzofuran-5,6-dione CAS Name: (2S,3S,3aS)-2-(1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-3,4-dihydro-2H-benzofuran-5,6-dione IUPAC Name: (2S,3S,3aS)-2-(1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-3,4-dihydro-2H-1-benzofuran-5,6-dione Traditional Name: (2S,3S,3aS)-3a-allyl-2-(1,3-benzodioxol-5-yl)-3-methyl-3,4-dihydro-2H-benzofuran-5,6-quinone Formula: C19H18O5 MolecularWeight: 326.34322

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC(=O)C(=O)CC12CC=C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H]1[C@H](OC2=CC(=O)C(=O)C[C@@]12CC=C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18O5/c1-3-6-19-9-14(21)13(20)8-17(19)24-18(11(19)2)12-4-5-15-16(7-12)23-10-22-15/h3-5,7-8,11,18H,1,6,9-10H2,2H3/t11-,18+,19+/m1/s1