(5E)-3-(phenylsulfonyl)-1-oxacycloheptadec-5-en-2-one

Systemtic Name: (5E)-3-(phenylsulfonyl)-1-oxacycloheptadec-5-en-2-one Openeye Name: (5E)-3-(benzenesulfonyl)-1-oxacycloheptadec-5-en-2-one CAS Name: (5E)-3-(benzenesulfonyl)-1-oxacycloheptadec-5-en-2-one IUPAC Name: (5E)-3-(benzenesulfonyl)-1-oxacycloheptadec-5-en-2-one Traditional Name: (5E)-3-besyl-1-oxacycloheptadec-5-en-2-one Formula: C22H32O4S MolecularWeight: 392.55208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC=CCC(C(=O)OCCCCC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCCC/C=C/CC(C(=O)OCCCCC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H32O4S/c23-22-21(27(24,25)20-16-12-11-13-17-20)18-14-9-7-5-3-1-2-4-6-8-10-15-19-26-22/h9,11-14,16-17,21H,1-8,10,15,18-19H2/b14-9+