Название: 5-(5-((2-(1-ethylcyclopentyloxy)-2-oxoethoxy)carbonyl)-2-methoxyphenyl)-5H-dibenzo[b,d]thiophenium iodide
IUPAC: [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 3-dibenzothiophen-5-ium-5-yl-4-methoxybenzoate iodide
SMILES:
CCC1(OC(=O)COC(=O)c2ccc(OC)c(-[s+]3c4ccccc4c4ccccc43)c2)CCCC1.[I-]Canonical SMILES:
CCC1(CCCC1)OC(=O)COC(=O)C2=CC(=C(C=C2)OC)[S+]3C4=CC=CC=C4C5=CC=CC=C53.[I-]Молекулярная формула: C29H29IO5S
Молекулярная масса: 616.50
InChIKey: XOPDTVVUQZJDCH-UHFFFAOYSA-M
InChI:
PubChem CID: 86712470 →InChI=1S/C29H29O5S.HI/c1-3-29(16-8-9-17-29)34-27(30)19-33-28(31)20-14-15-23(32-2)26(18-20)35-24-12-6-4-10-21(24)22-11-5-7-13-25(22)35;/h4-7,10-15,18H,3,8-9,16-17,19H2,1-2H3;1H/q+1;/p-1Синонимы
XOPDTVVUQZJDCH-UHFFFAOYSA-M5-(5-((2-(1-ethylcyclopentyloxy)-2-oxoethoxy)carbonyl)-2-methoxyphenyl)-5H-dibenzo[b,d]thiophenium iodide
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