2,3-didecylbenzenesulfinate; 1,2-didecyl-3-sulfinato-benzene; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene

Systemtic Name: 2,3-didecylbenzenesulfinate; 1,2-didecyl-3-sulfinato-benzene; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene Openeye Name: 2,3-didecylbenzenesulfinate; 1,2-didecyl-3-sulfinato-benzene; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxotitanium; prop-1-ene CAS Name: 2,3-didecylbenzenesulfinate; 1,2-didecyl-3-sulfinatobenzene; 2,2-dimethyl-1-propanol; hydrogen peroxide; oxotitanium; 1-propene IUPAC Name: 2,3-didecylbenzenesulfinate; 1,2-didecyl-3-sulfinatobenzene; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxotitanium; prop-1-ene Traditional Name: 2,3-didecylbenzenesulfinate; 1,2-didecyl-3-sulfinato-benzene; 2,2-dimethylpropan-1-ol; hydrogen peroxide; ketotitanium; prop-1-ene Formula: C89H159O10S3Ti-5 MolecularWeight: 1533.27076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=CC=C1)[S-](=O)=O)CCCCCCCCCC.CCCCCCCCCCC1=C(C(=CC=C1)S(=O)[O-])CCCCCCCCCC.CCCCCCCCCCC1=C(C(=CC=C1)S(=O)[O-])CCCCCCCCCC.CC(C)(C)CO.[CH2-]C=C.[CH2-]C=C.OO.O=[Ti]

Isomeric SMILES

CCCCCCCCCCC1=C(C(=CC=C1)[S-](=O)=O)CCCCCCCCCC.CCCCCCCCCCC1=C(C(=CC=C1)S(=O)[O-])CCCCCCCCCC.CCCCCCCCCCC1=C(C(=CC=C1)S(=O)[O-])CCCCCCCCCC.CC(C)(C)CO.[CH2-]C=C.[CH2-]C=C.OO.O=[Ti]

InChI

InChI=1S/2C26H46O2S.C26H45O2S.C5H12O.2C3H5.H2O2.O.Ti/c3*1-3-5-7-9-11-13-15-17-20-24-21-19-23-26(29(27)28)25(24)22-18-16-14-12-10-8-6-4-2;1-5(2,3)4-6;2*1-3-2;1-2;;/h2*19,21,23H,3-18,20,22H2,1-2H3,(H,27,28);19,21,23H,3-18,20,22H2,1-2H3;6H,4H2,1-3H3;2*3H,1-2H2;1-2H;;/q;;-1;;2*-1;;;/p-2