dibutyltin; (Z)-4-hexadecoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: dibutyltin; (Z)-4-hexadecoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: dibutyltin; (Z)-4-hexadecoxy-4-oxo-but-2-enoic acid CAS Name: dibutyltin; (Z)-4-hexadecoxy-4-oxo-2-butenoic acid IUPAC Name: dibutyltin; (Z)-4-hexadecoxy-4-oxobut-2-enoic acid Traditional Name: (Z)-4-cetyloxy-4-keto-but-2-enoic acid; dibutyltin Formula: C48H90O8Sn MolecularWeight: 913.9334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)O.CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)O.CCCC[Sn]CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O.CCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O.CCCC[Sn]CCCC

InChI

InChI=1S/2C20H36O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;2*1-3-4-2;/h2*16-17H,2-15,18H2,1H3,(H,21,22);2*1,3-4H2,2H3;/b2*17-16-;;;