1-dodecyl-2-sulfinato-benzene; propane; titanium(4+)

Systemtic Name: 1-dodecyl-2-sulfinato-benzene; propane; titanium(4+) Openeye Name: 1-dodecyl-2-sulfinato-benzene; propane; titanium(4+) CAS Name: 1-dodecyl-2-sulfinatobenzene; propane; titanium(4+) IUPAC Name: 1-dodecyl-2-sulfinatobenzene; propane; titanium(4+) Traditional Name: 1-lauryl-2-sulfinato-benzene; propane; titanium(4+) Formula: C57H94O6S3Ti MolecularWeight: 1019.41466

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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=C1[S-](=O)=O.C[CH-]C.[Ti+4]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.C[CH-]C.[Ti+4]

InChI

InChI=1S/3C18H29O2S.C3H7.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;/h3*12-13,15-16H,2-11,14H2,1H3;3H,1-2H3;/q4*-1;+4