(E)-19-methyl-2-(16-methylheptadecanoyl)-4-oxidanylidene-3-propan-2-yl-icos-2-enoic acid; oxidanyl(oxidanylidene)titanium

Systemtic Name: (E)-19-methyl-2-(16-methylheptadecanoyl)-4-oxidanylidene-3-propan-2-yl-icos-2-enoic acid; oxidanyl(oxidanylidene)titanium Openeye Name: hydroxy(oxo)titanium; (E)-3-isopropyl-19-methyl-2-(16-methylheptadecanoyl)-4-oxo-icos-2-enoic acid CAS Name: hydroxy(oxo)titanium; (E)-19-methyl-2-(16-methyl-1-oxoheptadecyl)-4-oxo-3-propan-2-yl-2-eicosenoic acid IUPAC Name: hydroxy(oxo)titanium; (E)-19-methyl-2-(16-methylheptadecanoyl)-4-oxo-3-propan-2-ylicos-2-enoic acid Traditional Name: hydroxy(keto)titanium; (E)-3-isopropyl-4-keto-19-methyl-2-(16-methylheptadecanoyl)eicos-2-enoic acid Formula: C42H79O6Ti MolecularWeight: 727.94006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H78O4.H2O.O.Ti/c1-35(2)31-27-23-19-15-11-7-9-13-17-21-25-29-33-38(43)40(37(5)6)41(42(45)46)39(44)34-30-26-22-18-14-10-8-12-16-20-24-28-32-36(3)4;;;/h35-37H,7-34H2,1-6H3,(H,45,46);1H2;;/q;;;+1/p-1/b41-40+;;;