(Z)-4-dodecoxy-4-oxidanylidene-but-2-enoic acid; octyltin

Systemtic Name: (Z)-4-dodecoxy-4-oxidanylidene-but-2-enoic acid; octyltin Openeye Name: (Z)-4-dodecoxy-4-oxo-but-2-enoic acid; octyltin CAS Name: (Z)-4-dodecoxy-4-oxo-2-butenoic acid; octyltin IUPAC Name: (Z)-4-dodecoxy-4-oxobut-2-enoic acid; octyltin Traditional Name: (Z)-4-keto-4-lauryloxy-but-2-enoic acid; octyltin Formula: C56H101O12Sn MolecularWeight: 1085.10394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C16H28O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-3-5-7-8-6-4-2;/h3*12-13H,2-11,14H2,1H3,(H,17,18);1,3-8H2,2H3;/b3*13-12-;;