2-[1-(2-hydroxyethylsulfanyl)-3-phenyl-propyl]sulfanylethanol; 3-phenylpropanal

Systemtic Name: 2-[1-(2-hydroxyethylsulfanyl)-3-phenyl-propyl]sulfanylethanol; 3-phenylpropanal Openeye Name: 2-[1-(2-hydroxyethylsulfanyl)-3-phenyl-propyl]sulfanylethanol; 3-phenylpropanal CAS Name: 2-[[1-(2-hydroxyethylthio)-3-phenylpropyl]thio]ethanol; 3-phenylpropanal IUPAC Name: 2-[1-(2-hydroxyethylsulfanyl)-3-phenylpropyl]sulfanylethanol; 3-phenylpropanal Traditional Name: 2-[[1-(2-hydroxyethylthio)-3-phenyl-propyl]thio]ethanol; 3-phenylpropionaldehyde Formula: C22H30O3S2 MolecularWeight: 406.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC=O.C1=CC=C(C=C1)CCC(SCCO)SCCO

Isomeric SMILES

C1=CC=C(C=C1)CCC=O.C1=CC=C(C=C1)CCC(SCCO)SCCO

InChI

InChI=1S/C13H20O2S2.C9H10O/c14-8-10-16-13(17-11-9-15)7-6-12-4-2-1-3-5-12;10-8-4-7-9-5-2-1-3-6-9/h1-5,13-15H,6-11H2;1-3,5-6,8H,4,7H2