propan-2-ol; titanium(3+); 2,3,4-tridodecylbenzenesulfonate

Systemtic Name: propan-2-ol; titanium(3+); 2,3,4-tridodecylbenzenesulfonate Openeye Name: propan-2-ol; titanium(3+); 2,3,4-tridodecylbenzenesulfonate CAS Name: 2-propanol; titanium(3+); 2,3,4-tridodecylbenzenesulfonate IUPAC Name: propan-2-ol; titanium(3+); 2,3,4-tridodecylbenzenesulfonate Traditional Name: propan-2-ol; titanium(3+); 2,3,4-trilaurylbesylate Formula: C129H239O10S3Ti MolecularWeight: 2094.33396

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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.CC(C)O.[Ti+3]

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.CC(C)O.[Ti+3]

InChI

InChI=1S/3C42H78O3S.C3H8O.Ti/c3*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;1-3(2)4;/h3*37-38H,4-36H2,1-3H3,(H,43,44,45);3-4H,1-2H3;/q;;;;+3/p-3