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

Systemtic Name: 13-[2-methyl-3-(phenylsulfonyl)propyl]-1-oxacyclotridecan-2-one Openeye Name: 13-[3-(benzenesulfonyl)-2-methyl-propyl]-oxacyclotridecan-2-one CAS Name: 13-[3-(benzenesulfonyl)-2-methylpropyl]-oxacyclotridecan-2-one IUPAC Name: 13-[3-(benzenesulfonyl)-2-methylpropyl]-oxacyclotridecan-2-one Traditional Name: 13-(3-besyl-2-methyl-propyl)-oxacyclotridecan-2-one Formula: C22H34O4S MolecularWeight: 394.56796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCCCCCCCCC(=O)O1)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC1CCCCCCCCCCC(=O)O1)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H34O4S/c1-19(18-27(24,25)21-14-10-8-11-15-21)17-20-13-9-6-4-2-3-5-7-12-16-22(23)26-20/h8,10-11,14-15,19-20H,2-7,9,12-13,16-18H2,1H3