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Search term: KUAJAWODNMPDFZ
Found by InChIKey (skeleton match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 3720540
Empirical Formula: C29H19Cl3N2OS2
Molecular Weight: 581.963
Nominal Mass: 580 Da
Average Mass: 581.963 Da
Monoisotopic Mass: 580.000436 Da
Systematic Name: 1-[3'-(3-chlorophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[2-ben​zothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
SMILES: Clc1ccc(cc1)C5(SC3(S/C(=N\N3c2cccc(Cl)c2)C(=O)C)c4c5cccc4)c6ccc(C​l)cc6 Copy
InChI: InChI=1/C29H19Cl3N2OS2/c1-18(35)27-33-34(24-6-4-5-23(32)17-24)29(​36-27)26-8-3-2-7-25(26)28(37-29,19-9-13-21(30)14-10-19)20-11-15-2​2(31)16-12-20/h2-17H,1H3 Copy
InChIKey: KUAJAWODNMPDFZ-UHFFFAOYAM
Std. InChI: InChI=1S/C29H19Cl3N2OS2/c1-18(35)27-33-34(24-6-4-5-23(32)17-24)29​(36-27)26-8-3-2-7-25(26)28(37-29,19-9-13-21(30)14-10-19)20-11-15-​22(31)16-12-20/h2-17H,1H3 Copy
Std. InChIKey: KUAJAWODNMPDFZ-UHFFFAOYSA-N
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