4-[(Z)-1,3-bis(oxidanyl)-3-phenyl-prop-1-enyl]benzenecarbonitrile; tributyltin

Systemtic Name: 4-[(Z)-1,3-bis(oxidanyl)-3-phenyl-prop-1-enyl]benzenecarbonitrile; tributyltin Openeye Name: 4-[(Z)-1,3-dihydroxy-3-phenyl-prop-1-enyl]benzonitrile; tributyltin CAS Name: 4-[(Z)-1,3-dihydroxy-3-phenylprop-1-enyl]benzonitrile; tributyltin IUPAC Name: 4-[(Z)-1,3-dihydroxy-3-phenylprop-1-enyl]benzonitrile; tributyltin Traditional Name: 4-[(Z)-1,3-dihydroxy-3-phenyl-prop-1-enyl]benzonitrile; tributyltin Formula: C28H40NO2Sn MolecularWeight: 541.3327

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)CCCC.C1=CC=C(C=C1)C(C=C(C2=CC=C(C=C2)C#N)O)O

Isomeric SMILES

CCCC[Sn](CCCC)CCCC.C1=CC=C(C=C1)C(/C=C(/C2=CC=C(C=C2)C#N)\O)O

InChI

InChI=1S/C16H13NO2.3C4H9.Sn/c17-11-12-6-8-14(9-7-12)16(19)10-15(18)13-4-2-1-3-5-13;3*1-3-4-2;/h1-10,15,18-19H;3*1,3-4H2,2H3;/b16-10-;;;;