(E)-12-oxidanyloctadec-9-enoic acid; propan-2-ol; titanium(2+)

Systemtic Name: (E)-12-oxidanyloctadec-9-enoic acid; propan-2-ol; titanium(2+) Openeye Name: (E)-12-hydroxyoctadec-9-enoic acid; propan-2-ol; titanium(2+) CAS Name: (E)-12-hydroxy-9-octadecenoic acid; 2-propanol; titanium(2+) IUPAC Name: (E)-12-hydroxyoctadec-9-enoic acid; propan-2-ol; titanium(2+) Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid; propan-2-ol; titanium(2+) Formula: C57H110O10Ti+2 MolecularWeight: 1003.3443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)O.CCCCCCC(CC=CCCCCCCCC(=O)O)O.CCCCCCC(CC=CCCCCCCCC(=O)O)O.CC(C)O.[Ti+2]

Isomeric SMILES

CCCCCCC(O)C/C=C/CCCCCCCC(=O)O.CCCCCCC(O)C/C=C/CCCCCCCC(=O)O.CCCCCCC(O)C/C=C/CCCCCCCC(=O)O.CC(O)C.[Ti+2]

InChI

InChI=1S/3C18H34O3.C3H8O.Ti/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3(2)4;/h3*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-4H,1-2H3;/q;;;;+2/b3*12-9+;;