bis(oxidanidyl)-oxidanylidene-titanium; 2-dodecylbenzenesulfinate; 1-dodecyl-2-sulfinato-benzene; propane

Systemtic Name: bis(oxidanidyl)-oxidanylidene-titanium; 2-dodecylbenzenesulfinate; 1-dodecyl-2-sulfinato-benzene; propane Openeye Name: dioxido(oxo)titanium; 2-dodecylbenzenesulfinate; 1-dodecyl-2-sulfinato-benzene; propane CAS Name: dioxido(oxo)titanium; 2-dodecylbenzenesulfinate; 1-dodecyl-2-sulfinatobenzene; propane IUPAC Name: dioxido(oxo)titanium; 2-dodecylbenzenesulfinate; 1-dodecyl-2-sulfinatobenzene; propane Traditional Name: keto(dioxido)titanium; 2-laurylbenzenesulfinate; 1-lauryl-2-sulfinato-benzene; propane Formula: C57H94O9S3Ti-6 MolecularWeight: 1067.41286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)[O-].C[CH-]C.[O-][Ti](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)[O-].C[CH-]C.[O-][Ti](=O)[O-]

InChI

InChI=1S/C18H30O2S.2C18H29O2S.C3H7.3O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)21(19)20;1-3-2;;;;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20);2*12-13,15-16H,2-11,14H2,1H3;3H,1-2H3;;;;/q;3*-1;;2*-1;/p-1