(3aR,7aS)-2-butyl-5-chloranyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aR,7aS)-2-butyl-5-chloranyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aR,7aS)-2-butyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aR,7aS)-2-butyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aR,7aS)-2-butyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aR,7aS)-2-butyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2CC=C(CC2C1=O)Cl

Isomeric SMILES

CCCCN1C(=O)[C@H]2CC=C(C[C@H]2C1=O)Cl

InChI

InChI=1S/C12H16ClNO2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16/h4,9-10H,2-3,5-7H2,1H3/t9-,10+/m0/s1