methyl (E)-12-oxidanyloctadec-9-enoate; propan-2-ol; titanium

Systemtic Name: methyl (E)-12-oxidanyloctadec-9-enoate; propan-2-ol; titanium Openeye Name: methyl (E)-12-hydroxyoctadec-9-enoate; propan-2-ol; titanium CAS Name: (E)-12-hydroxy-9-octadecenoic acid methyl ester; 2-propanol; titanium IUPAC Name: methyl (E)-12-hydroxyoctadec-9-enoate; propan-2-ol; titanium Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid methyl ester; propan-2-ol; titanium Formula: C60H116O10Ti MolecularWeight: 1045.42404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C19H36O3.C3H8O.Ti/c3*1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2;1-3(2)4;/h3*10,13,18,20H,3-9,11-12,14-17H2,1-2H3;3-4H,1-2H3;/b3*13-10+;;