2-oxidanylethanoic acid; (Z)-12-oxidanyloctadec-9-enoic acid; titanium

Systemtic Name: 2-oxidanylethanoic acid; (Z)-12-oxidanyloctadec-9-enoic acid; titanium Openeye Name: 2-hydroxyacetic acid; (Z)-12-hydroxyoctadec-9-enoic acid; titanium CAS Name: 2-hydroxyacetic acid; (Z)-12-hydroxy-9-octadecenoic acid; titanium IUPAC Name: 2-hydroxyacetic acid; (Z)-12-hydroxyoctadec-9-enoic acid; titanium Traditional Name: glycolic acid; (Z)-12-hydroxyoctadec-9-enoic acid; titanium Formula: C38H72O9Ti MolecularWeight: 720.83988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H34O3.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*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3H,1H2,(H,4,5);/b2*12-9-;;