(E)-2-methylbut-2-enoic acid; 16-methylheptadecanoic acid; oxidanylidenetitanium; propane

Systemtic Name: (E)-2-methylbut-2-enoic acid; 16-methylheptadecanoic acid; oxidanylidenetitanium; propane Openeye Name: (E)-2-methylbut-2-enoic acid; 16-methylheptadecanoic acid; oxotitanium; propane CAS Name: (E)-2-methyl-2-butenoic acid; 16-methylheptadecanoic acid; oxotitanium; propane IUPAC Name: (E)-2-methylbut-2-enoic acid; 16-methylheptadecanoic acid; oxotitanium; propane Traditional Name: ketotitanium; (E)-2-methylbut-2-enoic acid; 16-methylheptadecanoic acid; propane Formula: C26H51O5Ti- MolecularWeight: 491.54714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C5H8O2.C3H7.O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-4(2)5(6)7;1-3-2;;/h17H,3-16H2,1-2H3,(H,19,20);3H,1-2H3,(H,6,7);3H,1-2H3;;/q;;-1;;/b;4-3+;;;