13-[3-(phenylsulfonyl)propyl]-1-oxacyclotridecan-2-one

Systemtic Name: 13-[3-(phenylsulfonyl)propyl]-1-oxacyclotridecan-2-one Openeye Name: 13-[3-(benzenesulfonyl)propyl]-oxacyclotridecan-2-one CAS Name: 13-[3-(benzenesulfonyl)propyl]-oxacyclotridecan-2-one IUPAC Name: 13-[3-(benzenesulfonyl)propyl]-oxacyclotridecan-2-one Traditional Name: 13-(3-besylpropyl)-oxacyclotridecan-2-one Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=O)OC(CCCC1)CCCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCCCC(=O)OC(CCCC1)CCCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H32O4S/c22-21-17-11-6-4-2-1-3-5-8-13-19(25-21)14-12-18-26(23,24)20-15-9-7-10-16-20/h7,9-10,15-16,19H,1-6,8,11-14,17-18H2