名称: 5-(4-(2-(1-ethylcyclopentyloxy)-2-oxoethoxy)-3,5-dimethylphenyl)-5H-dibenzo[b,d]thiophenium bromide
IUPAC: (1-ethylcyclopentyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate bromide
SMILES:
CCC1(OC(=O)COc2c(C)cc(-[s+]3c4ccccc4c4ccccc43)cc2C)CCCC1.[Br-]Canonical SMILES:
CCC1(CCCC1)OC(=O)COC2=C(C=C(C=C2C)[S+]3C4=CC=CC=C4C5=CC=CC=C53)C.[Br-]分子式: C29H31BrO3S
分子量: 539.50
InChIKey: PWLFYPNZJYBSKA-UHFFFAOYSA-M
InChI:
PubChem CID: 86712458 →InChI=1S/C29H31O3S.BrH/c1-4-29(15-9-10-16-29)32-27(30)19-31-28-20(2)17-22(18-21(28)3)33-25-13-7-5-11-23(25)24-12-6-8-14-26(24)33;/h5-8,11-14,17-18H,4,9-10,15-16,19H2,1-3H3;1H/q+1;/p-1同義語
SCHEMBL30996178PWLFYPNZJYBSKA-UHFFFAOYSA-M5-(4-(2-(1-ethylcyclopentyloxy)-2-oxoethoxy)-3,5-dimethylphenyl)-5H-dibenzo[b,d]thiophenium bromide
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