titanium; 3,4,5-tridodecyl-2-propan-2-yloxy-benzenesulfonic acid

Systemtic Name: titanium; 3,4,5-tridodecyl-2-propan-2-yloxy-benzenesulfonic acid Openeye Name: titanium; 3,4,5-tridodecyl-2-isopropoxy-benzenesulfonic acid CAS Name: titanium; 3,4,5-tridodecyl-2-propan-2-yloxybenzenesulfonic acid IUPAC Name: titanium; 3,4,5-tridodecyl-2-propan-2-yloxybenzenesulfonic acid Traditional Name: 2-isopropoxy-3,4,5-trilauryl-besylic acid; titanium Formula: C180H336O16S4Ti MolecularWeight: 2932.71124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O.[Ti]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O.[Ti]

InChI

InChI=1S/4C45H84O4S.Ti/c4*1-6-9-12-15-18-21-24-27-30-33-36-41-39-44(50(46,47)48)45(49-40(4)5)43(38-35-32-29-26-23-20-17-14-11-8-3)42(41)37-34-31-28-25-22-19-16-13-10-7-2;/h4*39-40H,6-38H2,1-5H3,(H,46,47,48);