16-methylheptadecanoic acid; oxidanylidenetitanium; propane

Systemtic Name: 16-methylheptadecanoic acid; oxidanylidenetitanium; propane Openeye Name: 16-methylheptadecanoic acid; oxotitanium; propane CAS Name: 16-methylheptadecanoic acid; oxotitanium; propane IUPAC Name: 16-methylheptadecanoic acid; oxotitanium; propane Traditional Name: ketotitanium; 16-methylheptadecanoic acid; propane Formula: C42H86O5Ti-2 MolecularWeight: 718.99624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2.2C3H7.O.Ti/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;2*1-3-2;;/h2*17H,3-16H2,1-2H3,(H,19,20);2*3H,1-2H3;;/q;;2*-1;;