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ChemSpider ID: |
9631563
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Empirical Formula: |
C38H52O4Sn
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Molecular Weight: |
691.5271
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Nominal Mass: |
692
Da
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Average Mass: |
691.5271
Da
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Monoisotopic Mass: |
692.288759
Da
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Systematic Name: |
(1R)-2-hydroxy-1,2,2-triphenylethyl (3R,4E)-3-hydroxy-5-(tributylstannanyl)hex-4-enoate
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SMILES: |
O=C(O[C@H](c1ccccc1)C(O)(c2ccccc2)c3ccccc3)C[C@@H](O)\C=C(/C)[Sn](CCCC)(CCCC)CCCC
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InChI: |
InChI=1/C26H25O4.3C4H9.Sn/c1-2-12-23(27)19-24(28)30-25(20-13-6-3-7-14-20)26(29,21-15-8-4-9-16-21)22-17-10-5-11-18-22;3*1-3-4-2;/h3-18,23,25,27,29H,19H2,1H3;3*1,3-4H2,2H3;/t23-,25+;;;;/m0..../s1/rC38H52O4Sn/c1-5-8-26-43(27-9-6-2,28-10-7-3)31(4)29-35(39)30-36(40)42-37(32-20-14-11-15-21-32)38(41,33-22-16-12-17-23-33)34-24-18-13-19-25-34/h11-25,29,35,37,39,41H,5-10,26-28,30H2,1-4H3/b31-29+/t35-,37+/m0/s1
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InChIKey: |
NZZWNUFLXXKWLY-VBZKDWCZBC
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Std. InChI: |
InChI=1S/C26H25O4.3C4H9.Sn/c1-2-12-23(27)19-24(28)30-25(20-13-6-3-7-14-20)26(29,21-15-8-4-9-16-21)22-17-10-5-11-18-22;3*1-3-4-2;/h3-18,23,25,27,29H,19H2,1H3;3*1,3-4H2,2H3;/t23-,25+;;;;/m0..../s1
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Std. InChIKey: |
NZZWNUFLXXKWLY-ONLHHZEHSA-N
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