(5E,6S)-3,6-ditert-butyl-5-(phenylmethylidene)cyclohex-3-ene-1,2-dione

Systemtic Name: (5E,6S)-3,6-ditert-butyl-5-(phenylmethylidene)cyclohex-3-ene-1,2-dione Openeye Name: (5E,6S)-5-benzylidene-3,6-ditert-butyl-cyclohex-3-ene-1,2-dione CAS Name: (5E,6S)-3,6-ditert-butyl-5-(phenylmethylene)cyclohex-3-ene-1,2-dione IUPAC Name: (5E,6S)-5-benzylidene-3,6-ditert-butylcyclohex-3-ene-1,2-dione Traditional Name: (5E,6S)-5-benzal-3,6-ditert-butyl-cyclohex-3-ene-1,2-quinone Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(=CC2=CC=CC=C2)C=C(C(=O)C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)[C@H]1/C(=C/C2=CC=CC=C2)/C=C(C(=O)C1=O)C(C)(C)C

InChI

InChI=1S/C21H26O2/c1-20(2,3)16-13-15(12-14-10-8-7-9-11-14)17(21(4,5)6)19(23)18(16)22/h7-13,17H,1-6H3/b15-12+/t17-/m0/s1