3-[(2R)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]sulfanylbenzoate

Systemtic Name: 3-[(2R)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]sulfanylbenzoate Openeye Name: 3-[(1R)-1-carboxylatopropyl]sulfanylbenzoate CAS Name: 3-[[(2R)-1-oxido-1-oxobutan-2-yl]thio]benzoate IUPAC Name: 3-[(2R)-1-oxido-1-oxobutan-2-yl]sulfanylbenzoate Traditional Name: 3-[[(1R)-1-carboxylatopropyl]thio]benzoate Formula: C11H10O4S-2 MolecularWeight: 238.2597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C11H12O4S/c1-2-9(11(14)15)16-8-5-3-4-7(6-8)10(12)13/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15)/p-2/t9-/m1/s1