(3aS,6R,7R,7aS)-7-chloranyl-6-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one

Systemtic Name: (3aS,6R,7R,7aS)-7-chloranyl-6-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Openeye Name: (3aS,6R,7R,7aS)-7-chloro-6-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one CAS Name: (3aS,6R,7R,7aS)-7-chloro-6-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one IUPAC Name: (3aS,6R,7R,7aS)-7-chloro-6-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Traditional Name: (3aS,6R,7R,7aS)-7-chloro-6-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one Formula: C9H11ClO2 MolecularWeight: 186.63544

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2COC(=O)C2C1Cl

Isomeric SMILES

C[C@@H]1C=C[C@@H]2COC(=O)[C@H]2[C@@H]1Cl

InChI

InChI=1S/C9H11ClO2/c1-5-2-3-6-4-12-9(11)7(6)8(5)10/h2-3,5-8H,4H2,1H3/t5-,6-,7-,8-/m1/s1