5-tert-butylsulfonyl-4-oxidanylidene-2-(phenylmethyl)pentanoate

Systemtic Name: 5-tert-butylsulfonyl-4-oxidanylidene-2-(phenylmethyl)pentanoate Openeye Name: 2-benzyl-5-tert-butylsulfonyl-4-oxo-pentanoate CAS Name: 5-tert-butylsulfonyl-4-oxo-2-(phenylmethyl)pentanoate IUPAC Name: 2-benzyl-5-tert-butylsulfonyl-4-oxopentanoate Traditional Name: 2-benzyl-5-tert-butylsulfonyl-4-keto-valerate Formula: C16H21O5S- MolecularWeight: 325.39994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C16H22O5S/c1-16(2,3)22(20,21)11-14(17)10-13(15(18)19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,19)/p-1