3-ethyl-4-fluoranyl-benzoic acid; 2-(sulfinoamino)propane

Systemtic Name: 3-ethyl-4-fluoranyl-benzoic acid; 2-(sulfinoamino)propane Openeye Name: 3-ethyl-4-fluoro-benzoic acid; 2-(sulfinoamino)propane CAS Name: 3-ethyl-4-fluorobenzoic acid; 2-(sulfinoamino)propane IUPAC Name: 3-ethyl-4-fluorobenzoic acid; 2-(sulfinoamino)propane Traditional Name: 3-ethyl-4-fluoro-benzoic acid; 2-(sulfinoamino)propane Formula: C12H18FNO4S MolecularWeight: 291.339023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)O)F.CC(C)NS(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)O)F.CC(C)NS(=O)O

InChI

InChI=1S/C9H9FO2.C3H9NO2S/c1-2-6-5-7(9(11)12)3-4-8(6)10;1-3(2)4-7(5)6/h3-5H,2H2,1H3,(H,11,12);3-4H,1-2H3,(H,5,6)