4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid; 1-(sulfinoamino)octane

Systemtic Name: 4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid; 1-(sulfinoamino)octane Openeye Name: 4-(4-chlorophenyl)-4-oxo-butanoic acid; 1-(sulfinoamino)octane CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid; 1-(sulfinoamino)octane IUPAC Name: 4-(4-chlorophenyl)-4-oxobutanoic acid; 1-(sulfinoamino)octane Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid; 1-(sulfinoamino)octane Formula: C18H28ClNO5S MolecularWeight: 405.93662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNS(=O)O.C1=CC(=CC=C1C(=O)CCC(=O)O)Cl

Isomeric SMILES

CCCCCCCCNS(=O)O.C1=CC(=CC=C1C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C10H9ClO3.C8H19NO2S/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;1-2-3-4-5-6-7-8-9-12(10)11/h1-4H,5-6H2,(H,13,14);9H,2-8H2,1H3,(H,10,11)