(E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid; propan-2-ol; titanium

Systemtic Name: (E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid; propan-2-ol; titanium Openeye Name: (E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid; propan-2-ol; titanium CAS Name: (E)-10-(3-hexyl-2-oxiranyl)-9-decenoic acid; 2-propanol; titanium IUPAC Name: (E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid; propan-2-ol; titanium Traditional Name: (E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid; propan-2-ol; titanium Formula: C57H104O10Ti MolecularWeight: 997.29666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(O1)C=CCCCCCCCC(=O)O.CCCCCCC1C(O1)C=CCCCCCCCC(=O)O.CCCCCCC1C(O1)C=CCCCCCCCC(=O)O.CC(C)O.[Ti]

Isomeric SMILES

CCCCCCC1OC1/C=C/CCCCCCCC(=O)O.CCCCCCC1OC1/C=C/CCCCCCCC(=O)O.CCCCCCC1OC1/C=C/CCCCCCCC(=O)O.CC(O)C.[Ti]

InChI

InChI=1S/3C18H32O3.C3H8O.Ti/c3*1-2-3-4-10-13-16-17(21-16)14-11-8-6-5-7-9-12-15-18(19)20;1-3(2)4;/h3*11,14,16-17H,2-10,12-13,15H2,1H3,(H,19,20);3-4H,1-2H3;/b3*14-11+;;