3-oxidanyl-12-(phenylsulfonyl)-14-oxabicyclo[10.3.1]hexadec-1-en-13-one

Systemtic Name: 3-oxidanyl-12-(phenylsulfonyl)-14-oxabicyclo[10.3.1]hexadec-1-en-13-one Openeye Name: 12-(benzenesulfonyl)-3-hydroxy-14-oxabicyclo[10.3.1]hexadec-1-en-13-one CAS Name: 12-(benzenesulfonyl)-3-hydroxy-14-oxabicyclo[10.3.1]hexadec-1-en-13-one IUPAC Name: 12-(benzenesulfonyl)-3-hydroxy-14-oxabicyclo[10.3.1]hexadec-1-en-13-one Traditional Name: 12-besyl-3-hydroxy-14-oxabicyclo[10.3.1]hexadec-1-en-13-one Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O5S/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/h5,7-8,11-12,14,18,22H,1-4,6,9-10,13,15-16H2