16-methyl-1-[2-(16-methylheptadecanoyl)-4-oxidanyl-3-(2-phenylpropan-2-yl)phenyl]heptadecan-1-one; oxidanylidenetitanium; propan-2-ol

Systemtic Name: 16-methyl-1-[2-(16-methylheptadecanoyl)-4-oxidanyl-3-(2-phenylpropan-2-yl)phenyl]heptadecan-1-one; oxidanylidenetitanium; propan-2-ol Openeye Name: 1-[4-hydroxy-2-(16-methylheptadecanoyl)-3-(1-methyl-1-phenyl-ethyl)phenyl]-16-methyl-heptadecan-1-one; oxotitanium; propan-2-ol CAS Name: 1-[4-hydroxy-2-(16-methyl-1-oxoheptadecyl)-3-(2-phenylpropan-2-yl)phenyl]-16-methyl-1-heptadecanone; oxotitanium; 2-propanol IUPAC Name: 1-[4-hydroxy-2-(16-methylheptadecanoyl)-3-(2-phenylpropan-2-yl)phenyl]-16-methylheptadecan-1-one; oxotitanium; propan-2-ol Traditional Name: 1-[3-cumyl-4-hydroxy-2-(16-methylheptadecanoyl)phenyl]-16-methyl-heptadecan-1-one; ketotitanium; propan-2-ol Formula: C54H92O5Ti MolecularWeight: 869.17228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)C1=C(C(=C(C=C1)O)C(C)(C)C2=CC=CC=C2)C(=O)CCCCCCCCCCCCCCC(C)C.CC(C)O.O=[Ti]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)C1=C(C(=C(C=C1)O)C(C)(C)C2=CC=CC=C2)C(=O)CCCCCCCCCCCCCCC(C)C.CC(C)O.O=[Ti]

InChI

InChI=1S/C51H84O3.C3H8O.O.Ti/c1-42(2)34-28-23-19-15-11-7-9-13-17-21-25-32-38-46(52)45-40-41-48(54)50(51(5,6)44-36-30-27-31-37-44)49(45)47(53)39-33-26-22-18-14-10-8-12-16-20-24-29-35-43(3)4;1-3(2)4;;/h27,30-31,36-37,40-43,54H,7-26,28-29,32-35,38-39H2,1-6H3;3-4H,1-2H3;;