3-dodecylbenzenesulfonic acid; 16-methylheptadecanoic acid; propan-2-ol; titanium

Systemtic Name: 3-dodecylbenzenesulfonic acid; 16-methylheptadecanoic acid; propan-2-ol; titanium Openeye Name: 3-dodecylbenzenesulfonic acid; 16-methylheptadecanoic acid; propan-2-ol; titanium CAS Name: 3-dodecylbenzenesulfonic acid; 16-methylheptadecanoic acid; 2-propanol; titanium IUPAC Name: 3-dodecylbenzenesulfonic acid; 16-methylheptadecanoic acid; propan-2-ol; titanium Traditional Name: 3-laurylbesylic acid; 16-methylheptadecanoic acid; propan-2-ol; titanium Formula: C57H104O9S2Ti MolecularWeight: 1045.42726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H30O3S.C18H36O2.C3H8O.Ti/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3(2)4;/h2*12,14-16H,2-11,13H2,1H3,(H,19,20,21);17H,3-16H2,1-2H3,(H,19,20);3-4H,1-2H3;