titanium; 2,3,4-tridodecylbenzenesulfonic acid

Systemtic Name: titanium; 2,3,4-tridodecylbenzenesulfonic acid Openeye Name: titanium; 2,3,4-tridodecylbenzenesulfonic acid CAS Name: titanium; 2,3,4-tridodecylbenzenesulfonic acid IUPAC Name: titanium; 2,3,4-tridodecylbenzenesulfonic acid Traditional Name: titanium; 2,3,4-trilaurylbesylic acid Formula: C168H312O12S4Ti MolecularWeight: 2700.39468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.[Ti]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.[Ti]

InChI

InChI=1S/4C42H78O3S.Ti/c4*1-4-7-10-13-16-19-22-25-28-31-34-39-37-38-42(46(43,44)45)41(36-33-30-27-24-21-18-15-12-9-6-3)40(39)35-32-29-26-23-20-17-14-11-8-5-2;/h4*37-38H,4-36H2,1-3H3,(H,43,44,45);