3-ethylbenzoic acid; 2-(sulfinoamino)propane

Systemtic Name: 3-ethylbenzoic acid; 2-(sulfinoamino)propane Openeye Name: 3-ethylbenzoic acid; 2-(sulfinoamino)propane CAS Name: 3-ethylbenzoic acid; 2-(sulfinoamino)propane IUPAC Name: 3-ethylbenzoic acid; 2-(sulfinoamino)propane Traditional Name: 3-ethylbenzoic acid; 2-(sulfinoamino)propane Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2.C3H9NO2S/c1-2-7-4-3-5-8(6-7)9(10)11;1-3(2)4-7(5)6/h3-6H,2H2,1H3,(H,10,11);3-4H,1-2H3,(H,5,6)