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1-[3-(4-tert-butylphenyl)sulfanyloctyl]imidazole; ethanedioic acid

1-[3-(4-tert-butylphenyl)sulfanyloctyl]imidazole; ethanedioic acid

Systemtic Name:1-[3-(4-tert-butylphenyl)sulfanyloctyl]imidazole; ethanedioic acid
Openeye Name:1-[3-(4-tert-butylphenyl)sulfanyloctyl]imidazole; oxalic acid
CAS Name:1-[3-[(4-tert-butylphenyl)thio]octyl]imidazole; oxalic acid
IUPAC Name:1-[3-(4-tert-butylphenyl)sulfanyloctyl]imidazole; oxalic acid
Traditional Name:1-[3-[(4-tert-butylphenyl)thio]octyl]imidazole; oxalic acid
Formula: C23H34N2O4S
MolecularWeight: 434.59206
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCN1C=CN=C1)SC2=CC=C(C=C2)C(C)(C)C.C(=O)(C(=O)O)O


Isomeric SMILES

CCCCCC(CCN1C=CN=C1)SC2=CC=C(C=C2)C(C)(C)C.C(=O)(C(=O)O)O


InChI

InChI=1S/C21H32N2S.C2H2O4/c1-5-6-7-8-19(13-15-23-16-14-22-17-23)24-20-11-9-18(10-12-20)21(2,3)4;3-1(4)2(5)6/h9-12,14,16-17,19H,5-8,13,15H2,1-4H3;(H,3,4)(H,5,6)


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