2-(4-chlorophenyl)sulfanylethanoic acid; 3-[1-(hydroxymethylamino)cyclohexyl]oxypropan-1-ol

Systemtic Name: 2-(4-chlorophenyl)sulfanylethanoic acid; 3-[1-(hydroxymethylamino)cyclohexyl]oxypropan-1-ol Openeye Name: 2-(4-chlorophenyl)sulfanylacetic acid; 3-[1-(hydroxymethylamino)cyclohexoxy]propan-1-ol CAS Name: 2-[(4-chlorophenyl)thio]acetic acid; 3-[1-(hydroxymethylamino)cyclohexyl]oxy-1-propanol IUPAC Name: 2-(4-chlorophenyl)sulfanylacetic acid; 3-[1-(hydroxymethylamino)cyclohexyl]oxypropan-1-ol Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid; 3-[1-(methylolamino)cyclohexoxy]propan-1-ol Formula: C18H28ClNO5S MolecularWeight: 405.93662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(NCO)OCCCO.C1=CC(=CC=C1SCC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)(NCO)OCCCO.C1=CC(=CC=C1SCC(=O)O)Cl

InChI

InChI=1S/C10H21NO3.C8H7ClO2S/c12-7-4-8-14-10(11-9-13)5-2-1-3-6-10;9-6-1-3-7(4-2-6)12-5-8(10)11/h11-13H,1-9H2;1-4H,5H2,(H,10,11)