[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tributylstannyl-but-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tributylstannyl-but-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(tert-butoxycarbonylamino)-3-tributylstannyl-but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-tributylstannylbut-3-enyl] ester IUPAC Name: [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tributylstannylbut-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(tert-butoxycarbonylamino)-3-tributylstannyl-but-3-enyl] ester Formula: C28H49NO5SSn MolecularWeight: 630.46736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C(=C)C(COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)C(=C)[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22NO5S.3C4H9.Sn/c1-6-13(17-15(18)22-16(3,4)5)11-21-23(19,20)14-9-7-12(2)8-10-14;3*1-3-4-2;/h7-10,13H,1,11H2,2-5H3,(H,17,18);3*1,3-4H2,2H3;/t13-;;;;/m1..../s1