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8-N-[2-(Tributylstannyl)prop-2-en-1-yl]-1-{3-[N'-(2-iodophenyl)-N-phenylsulfonylamido]-2-methylenepropyl}octane-1,8-bis-sulfonamide
SpectraBase Compound ID JtmAnsDunm2
InChI InChI=1S/C39H45IN3O6S3.3C4H9.Sn/c1-3-29-41(50(44,45)35-21-11-8-12-22-35)30-19-6-4-5-7-20-31-42(51(46,47)36-23-13-9-14-24-36)32-34(2)33-43(39-28-18-17-27-38(39)40)52(48,49)37-25-15-10-16-26-37;3*1-3-4-2;/h8-18,21-28H,1-2,4-7,19-20,29-33H2;3*1,3-4H2,2H3;
InChIKey YLPSNVUHBKDRBD-UHFFFAOYSA-N
Mol Weight 1164.9 g/mol
Molecular Formula C51H72IN3O6S3Sn
Exact Mass 1165.264998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vBVJVCabA
Name 8-N-[2-(Tributylstannyl)prop-2-en-1-yl]-1-{3-[N'-(2-iodophenyl)-N-phenylsulfonylamido]-2-methylenepropyl}octane-1,8-bis-sulfonamide
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Formula C51H72IN3O6S3Sn
InChI InChI=1S/C39H45IN3O6S3.3C4H9.Sn/c1-3-29-41(50(44,45)35-21-11-8-12-22-35)30-19-6-4-5-7-20-31-42(51(46,47)36-23-13-9-14-24-36)32-34(2)33-43(39-28-18-17-27-38(39)40)52(48,49)37-25-15-10-16-26-37;3*1-3-4-2;/h8-18,21-28H,1-2,4-7,19-20,29-33H2;3*1,3-4H2,2H3;
InChIKey YLPSNVUHBKDRBD-UHFFFAOYSA-N
Molecular Weight 1164.947 g/mol
SMILES c1(N(S(=O)(=O)c2ccccc2)CC(CN(S(=O)(=O)c2ccccc2)CCCCCCCCN(S(=O)(=O)c2ccccc2)CC([Sn](CCCC)(CCCC)CCCC)=C)=C)c(I)cccc1
SPLASH splash10-05c6-7964110100-ccbbde3f569c742ac4f6
Source of Spectrum F-56-7547-14
Wiley ID 858501