3-chloranylbenzoic acid; 1-(sulfinoamino)butane

Systemtic Name: 3-chloranylbenzoic acid; 1-(sulfinoamino)butane Openeye Name: 3-chlorobenzoic acid; 1-(sulfinoamino)butane CAS Name: 3-chlorobenzoic acid; 1-(sulfinoamino)butane IUPAC Name: 3-chlorobenzoic acid; 1-(sulfinoamino)butane Traditional Name: 3-chlorobenzoic acid; 1-(sulfinoamino)butane Formula: C11H16ClNO4S MolecularWeight: 293.76704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)O.C1=CC(=CC(=C1)Cl)C(=O)O

Isomeric SMILES

CCCCNS(=O)O.C1=CC(=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C7H5ClO2.C4H11NO2S/c8-6-3-1-2-5(4-6)7(9)10;1-2-3-4-5-8(6)7/h1-4H,(H,9,10);5H,2-4H2,1H3,(H,6,7)