(3aS,7aS)-7a-butyl-3a-oxidanyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione

Systemtic Name: (3aS,7aS)-7a-butyl-3a-oxidanyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione Openeye Name: (3aS,7aS)-7a-butyl-3a-hydroxy-3,4,6,7-tetrahydro-2H-indene-1,5-dione CAS Name: (3aS,7aS)-7a-butyl-3a-hydroxy-3,4,6,7-tetrahydro-2H-indene-1,5-dione IUPAC Name: (3aS,7aS)-7a-butyl-3a-hydroxy-3,4,6,7-tetrahydro-2H-indene-1,5-dione Traditional Name: (3aS,7aS)-7a-butyl-3a-hydroxy-3,4,6,7-tetrahydro-2H-indene-1,5-quinone Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(=O)CC1(CCC2=O)O

Isomeric SMILES

CCCC[C@]12CCC(=O)C[C@]1(CCC2=O)O

InChI

InChI=1S/C13H20O3/c1-2-3-6-12-7-4-10(14)9-13(12,16)8-5-11(12)15/h16H,2-9H2,1H3/t12-,13+/m1/s1