2-oxidanylethanoic acid; 12-oxidanyloctadecanoic acid; titanium

Systemtic Name: 2-oxidanylethanoic acid; 12-oxidanyloctadecanoic acid; titanium Openeye Name: 2-hydroxyacetic acid; 12-hydroxyoctadecanoic acid; titanium CAS Name: 2-hydroxyacetic acid; 12-hydroxyoctadecanoic acid; titanium IUPAC Name: 2-hydroxyacetic acid; 12-hydroxyoctadecanoic acid; titanium Traditional Name: glycolic acid; 12-hydroxystearic acid; titanium Formula: C38H76O9Ti MolecularWeight: 724.87164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)O)O.CCCCCCC(CCCCCCCCCCC(=O)O)O.C(C(=O)O)O.[Ti]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)O)O.CCCCCCC(CCCCCCCCCCC(=O)O)O.C(C(=O)O)O.[Ti]

InChI

InChI=1S/2C18H36O3.C2H4O3.Ti/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;3-1-2(4)5;/h2*17,19H,2-16H2,1H3,(H,20,21);3H,1H2,(H,4,5);