(1E)-12-(phenylsulfonyl)-14-oxabicyclo[10.3.1]hexadec-1-ene-3,13-dione

Systemtic Name: (1E)-12-(phenylsulfonyl)-14-oxabicyclo[10.3.1]hexadec-1-ene-3,13-dione Openeye Name: (1E)-12-(benzenesulfonyl)-14-oxabicyclo[10.3.1]hexadec-1-ene-3,13-dione CAS Name: (1E)-12-(benzenesulfonyl)-14-oxabicyclo[10.3.1]hexadec-1-ene-3,13-dione IUPAC Name: (1E)-12-(benzenesulfonyl)-14-oxabicyclo[10.3.1]hexadec-1-ene-3,13-dione Traditional Name: (1E)-12-besyl-14-oxabicyclo[10.3.1]hexadec-1-ene-3,13-quinone Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC2(CC(=CC(=O)CCC1)COC2=O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCCC2(C/C(=C\C(=O)CCC1)/COC2=O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26O5S/c22-18-10-6-3-1-2-4-9-13-21(15-17(14-18)16-26-20(21)23)27(24,25)19-11-7-5-8-12-19/h5,7-8,11-12,14H,1-4,6,9-10,13,15-16H2/b17-14+