8-(3-octyloxiran-2-yl)octanoic acid; propan-2-ol; titanium

Systemtic Name: 8-(3-octyloxiran-2-yl)octanoic acid; propan-2-ol; titanium Openeye Name: 8-(3-octyloxiran-2-yl)octanoic acid; propan-2-ol; titanium CAS Name: 8-(3-octyl-2-oxiranyl)octanoic acid; 2-propanol; titanium IUPAC Name: 8-(3-octyloxiran-2-yl)octanoic acid; propan-2-ol; titanium Traditional Name: 8-(3-octyloxiran-2-yl)caprylic acid; propan-2-ol; titanium Formula: C57H110O10Ti MolecularWeight: 1003.3443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CC(C)O.[Ti]

Isomeric SMILES

CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CC(C)O.[Ti]

InChI

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