16-methylheptadecanoate; oxaldehydate; titanium(4+)

Systemtic Name: 16-methylheptadecanoate; oxaldehydate; titanium(4+) Openeye Name: 16-methylheptadecanoate; oxaldehydate; titanium(4+) CAS Name: 16-methylheptadecanoate; oxaldehydate; titanium(4+) IUPAC Name: 16-methylheptadecanoate; oxaldehydate; titanium(4+) Traditional Name: glyoxylate; 16-methylheptadecanoate; titanium(4+) Formula: C38H71O7Ti+ MolecularWeight: 687.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].C(=O)C(=O)[O-].[Ti+4]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].C(=O)C(=O)[O-].[Ti+4]

InChI

InChI=1S/2C18H36O2.C2H2O3.Ti/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;3-1-2(4)5;/h2*17H,3-16H2,1-2H3,(H,19,20);1H,(H,4,5);/q;;;+4/p-3