titanium; 2,3,3-trimethyl-2-propan-2-yl-octadecanoic acid

Systemtic Name: titanium; 2,3,3-trimethyl-2-propan-2-yl-octadecanoic acid Openeye Name: 2-isopropyl-2,3,3-trimethyl-octadecanoic acid; titanium CAS Name: titanium; 2,3,3-trimethyl-2-propan-2-yloctadecanoic acid IUPAC Name: titanium; 2,3,3-trimethyl-2-propan-2-yloctadecanoic acid Traditional Name: 2-isopropyl-2,3,3-trimethyl-stearic acid; titanium Formula: C96H192O8Ti MolecularWeight: 1522.41388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)(C)C(C)(C(C)C)C(=O)O.CCCCCCCCCCCCCCCC(C)(C)C(C)(C(C)C)C(=O)O.CCCCCCCCCCCCCCCC(C)(C)C(C)(C(C)C)C(=O)O.CCCCCCCCCCCCCCCC(C)(C)C(C)(C(C)C)C(=O)O.[Ti]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)(C)C(C)(C(C)C)C(=O)O.CCCCCCCCCCCCCCCC(C)(C)C(C)(C(C)C)C(=O)O.CCCCCCCCCCCCCCCC(C)(C)C(C)(C(C)C)C(=O)O.CCCCCCCCCCCCCCCC(C)(C)C(C)(C(C)C)C(=O)O.[Ti]

InChI

InChI=1S/4C24H48O2.Ti/c4*1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4,5)24(6,21(2)3)22(25)26;/h4*21H,7-20H2,1-6H3,(H,25,26);