benzoic acid; 1-[propyl(sulfino)amino]propane

Systemtic Name: benzoic acid; 1-[propyl(sulfino)amino]propane Openeye Name: benzoic acid; 1-[propyl(sulfino)amino]propane CAS Name: benzoic acid; 1-[propyl(sulfino)amino]propane IUPAC Name: benzoic acid; 1-[propyl(sulfino)amino]propane Traditional Name: benzoic acid; 1-[propyl(sulfino)amino]propane Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCN(CCC)S(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6O2.C6H15NO2S/c8-7(9)6-4-2-1-3-5-6;1-3-5-7(6-4-2)10(8)9/h1-5H,(H,8,9);3-6H2,1-2H3,(H,8,9)