(3S)-4,6-dimethoxy-3-[(1R,4R)-2-oxidanylidene-4-propyl-cyclopentyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-4,6-dimethoxy-3-[(1R,4R)-2-oxidanylidene-4-propyl-cyclopentyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-4,6-dimethoxy-3-[(1R,4R)-2-oxo-4-propyl-cyclopentyl]-3H-isobenzofuran-1-one CAS Name: (3S)-4,6-dimethoxy-3-[(1R,4R)-2-oxo-4-propylcyclopentyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-4,6-dimethoxy-3-[(1R,4R)-2-oxo-4-propylcyclopentyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(1R,4R)-2-keto-4-propyl-cyclopentyl]-4,6-dimethoxy-phthalide Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(C(=O)C1)C2C3=C(C=C(C=C3C(=O)O2)OC)OC

Isomeric SMILES

CCC[C@@H]1C[C@@H](C(=O)C1)[C@H]2C3=C(C=C(C=C3C(=O)O2)OC)OC

InChI

InChI=1S/C18H22O5/c1-4-5-10-6-12(14(19)7-10)17-16-13(18(20)23-17)8-11(21-2)9-15(16)22-3/h8-10,12,17H,4-7H2,1-3H3/t10-,12+,17+/m1/s1