titanium; 2-tridecylbenzenesulfonic acid

Systemtic Name: titanium; 2-tridecylbenzenesulfonic acid Openeye Name: titanium; 2-tridecylbenzenesulfonic acid CAS Name: titanium; 2-tridecylbenzenesulfonic acid IUPAC Name: titanium; 2-tridecylbenzenesulfonic acid Traditional Name: titanium; 2-tridecylbesylic acid Formula: C76H128O12S4Ti MolecularWeight: 1409.94932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.[Ti]

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.[Ti]

InChI

InChI=1S/4C19H32O3S.Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22;/h4*13-14,16-17H,2-12,15H2,1H3,(H,20,21,22);