4-chloranyl-3-nitro-benzoic acid; 1-(sulfinoamino)butane

Systemtic Name: 4-chloranyl-3-nitro-benzoic acid; 1-(sulfinoamino)butane Openeye Name: 4-chloro-3-nitro-benzoic acid; 1-(sulfinoamino)butane CAS Name: 4-chloro-3-nitrobenzoic acid; 1-(sulfinoamino)butane IUPAC Name: 4-chloro-3-nitrobenzoic acid; 1-(sulfinoamino)butane Traditional Name: 4-chloro-3-nitro-benzoic acid; 1-(sulfinoamino)butane Formula: C11H15ClN2O6S MolecularWeight: 338.7646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)O.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCNS(=O)O.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H4ClNO4.C4H11NO2S/c8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-2-3-4-5-8(6)7/h1-3H,(H,10,11);5H,2-4H2,1H3,(H,6,7)