dioctyltin; (Z)-4-octadecoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: dioctyltin; (Z)-4-octadecoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: dioctyltin; (Z)-4-octadecoxy-4-oxo-but-2-enoic acid CAS Name: dioctyltin; (Z)-4-octadecoxy-4-oxo-2-butenoic acid IUPAC Name: dioctyltin; (Z)-4-octadecoxy-4-oxobut-2-enoic acid Traditional Name: dioctyltin; (Z)-4-keto-4-stearyloxy-but-2-enoic acid Formula: C60H114O8Sn MolecularWeight: 1082.25236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)O.CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)O.CCCCCCCC[Sn]CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O.CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O.CCCCCCCC[Sn]CCCCCCCC

InChI

InChI=1S/2C22H40O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-5-7-8-6-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-8H2,2H3;/b2*19-18-;;;