Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCC(=O)OC(C)(C)c1ccccc1.[Br-]

Name: 5-(3,5-dimethyl-4-(2-oxo-2-(2-phenylpropan-2-yloxy)ethoxy)phenyl)-5H-dibenzo[b,d]thiophenium bromide

IUPAC: 2-phenylpropan-2-yl 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate bromide

SMILES: Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCC(=O)OC(C)(C)c1ccccc1.[Br-]

Canonical SMILES: CC1=CC(=CC(=C1OCC(=O)OC(C)(C)C2=CC=CC=C2)C)[S+]3C4=CC=CC=C4C5=CC=CC=C53.[Br-]

Summenformel: C31H29BrO3S

Molare Masse: 561.50

InChIKey: BBVXERLVALJASZ-UHFFFAOYSA-M

InChI:

InChI=1S/C31H29O3S.BrH/c1-21-18-24(35-27-16-10-8-14-25(27)26-15-9-11-17-28(26)35)19-22(2)30(21)33-20-29(32)34-31(3,4)23-12-6-5-7-13-23;/h5-19H,20H2,1-4H3;1H/q+1;/p-1

PubChem CID: 86712471 →

Synonyme

BBVXERLVALJASZ-UHFFFAOYSA-M5-(3,5-dimethyl-4-(2-oxo-2-(2-phenylpropan-2-yloxy)ethoxy)phenyl)-5H-dibenzo[b,d]thiophenium bromide

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