16-methylheptadecanoic acid; oxidanylidenetitanium; propane; prop-2-en-1-one

Systemtic Name: 16-methylheptadecanoic acid; oxidanylidenetitanium; propane; prop-2-en-1-one Openeye Name: 16-methylheptadecanoic acid; oxotitanium; propane; prop-2-en-1-one CAS Name: 16-methylheptadecanoic acid; oxotitanium; propane; 2-propen-1-one IUPAC Name: 16-methylheptadecanoic acid; oxotitanium; propane; prop-2-en-1-one Traditional Name: ketotitanium; 16-methylheptadecanoic acid; propane; prop-2-en-1-one Formula: C42H82O6Ti-2 MolecularWeight: 730.96388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2.C3H3O.C3H7.O.Ti/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-2-3-4;1-3-2;;/h2*17H,3-16H2,1-2H3,(H,19,20);2H,1H2;3H,1-2H3;;/q;;2*-1;;