octadecanoate; propan-2-olate; titanium(4+)

Systemtic Name: octadecanoate; propan-2-olate; titanium(4+) Openeye Name: octadecanoate; propan-2-olate; titanium(4+) CAS Name: octadecanoate; 2-propanolate; titanium(4+) IUPAC Name: octadecanoate; propan-2-olate; titanium(4+) Traditional Name: propan-2-olate; stearate; titanium(4+) Formula: C27H56O5Ti MolecularWeight: 508.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.3C3H7O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3(2)4;/h2-17H2,1H3,(H,19,20);3*3H,1-2H3;/q;3*-1;+4/p-1