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1-(3-decoxy-2-phenylsulfanyl-propyl)imidazole; ethanedioic acid

1-(3-decoxy-2-phenylsulfanyl-propyl)imidazole; ethanedioic acid

Systemtic Name:1-(3-decoxy-2-phenylsulfanyl-propyl)imidazole; ethanedioic acid
Openeye Name:1-(3-decoxy-2-phenylsulfanyl-propyl)imidazole; oxalic acid
CAS Name:1-[3-decoxy-2-(phenylthio)propyl]imidazole; oxalic acid
IUPAC Name:1-(3-decoxy-2-phenylsulfanylpropyl)imidazole; oxalic acid
Traditional Name:1-[3-decoxy-2-(phenylthio)propyl]imidazole; oxalic acid
Formula: C24H36N2O5S
MolecularWeight: 464.61804
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(CN1C=CN=C1)SC2=CC=CC=C2.C(=O)(C(=O)O)O


Isomeric SMILES

CCCCCCCCCCOCC(CN1C=CN=C1)SC2=CC=CC=C2.C(=O)(C(=O)O)O


InChI

InChI=1S/C22H34N2OS.C2H2O4/c1-2-3-4-5-6-7-8-12-17-25-19-22(18-24-16-15-23-20-24)26-21-13-10-9-11-14-21;3-1(4)2(5)6/h9-11,13-16,20,22H,2-8,12,17-19H2,1H3;(H,3,4)(H,5,6)


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