4-[(2S,4S)-4-tert-butyl-2-chloranyl-cyclohexylidene]but-3-en-2-one

Systemtic Name: 4-[(2S,4S)-4-tert-butyl-2-chloranyl-cyclohexylidene]but-3-en-2-one Openeye Name: 4-[(2S,4S)-4-tert-butyl-2-chloro-cyclohexylidene]but-3-en-2-one CAS Name: 4-[(2S,4S)-4-tert-butyl-2-chlorocyclohexylidene]-3-buten-2-one IUPAC Name: 4-[(2S,4S)-4-tert-butyl-2-chlorocyclohexylidene]but-3-en-2-one Traditional Name: 4-[(2S,4S)-4-tert-butyl-2-chloro-cyclohexylidene]but-3-en-2-one Formula: C14H21ClO MolecularWeight: 240.76894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C=C1CCC(CC1Cl)C(C)(C)C

Isomeric SMILES

CC(=O)C=C=C1CC[C@@H](C[C@@H]1Cl)C(C)(C)C

InChI

InChI=1S/C14H21ClO/c1-10(16)5-6-11-7-8-12(9-13(11)15)14(2,3)4/h5,12-13H,7-9H2,1-4H3/t6?,12-,13-/m0/s1