(E)-2,3-dimethyl-2-oxidanyl-octadec-9-enoate; tin(4+)

Systemtic Name: (E)-2,3-dimethyl-2-oxidanyl-octadec-9-enoate; tin(4+) Openeye Name: stannic (E)-2-hydroxy-2,3-dimethyl-octadec-9-enoate CAS Name: (E)-2-hydroxy-2,3-dimethyl-9-octadecenoate; tin(4+) IUPAC Name: (E)-2-hydroxy-2,3-dimethyloctadec-9-enoate; tin(4+) Traditional Name: stannic (E)-2-hydroxy-2,3-dimethyl-octadec-9-enoate Formula: C80H148O12Sn MolecularWeight: 1420.73392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCC(C)C(C)(C(=O)[O-])O.CCCCCCCCC=CCCCCCC(C)C(C)(C(=O)[O-])O.CCCCCCCCC=CCCCCCC(C)C(C)(C(=O)[O-])O.CCCCCCCCC=CCCCCCC(C)C(C)(C(=O)[O-])O.[Sn+4]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCC(C(O)(C(=O)[O-])C)C.CCCCCCCC/C=C/CCCCCC(C(O)(C(=O)[O-])C)C.CCCCCCCC/C=C/CCCCCC(C(O)(C(=O)[O-])C)C.CCCCCCCC/C=C/CCCCCC(C(O)(C(=O)[O-])C)C.[Sn+4]

InChI

InChI=1S/4C20H38O3.Sn/c4*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)20(3,23)19(21)22;/h4*11-12,18,23H,4-10,13-17H2,1-3H3,(H,21,22);/q;;;;+4/p-4/b4*12-11+;