2-dodecylbenzenesulfonic acid; propan-2-ol; titanium

Systemtic Name: 2-dodecylbenzenesulfonic acid; propan-2-ol; titanium Openeye Name: 2-dodecylbenzenesulfonic acid; propan-2-ol; titanium CAS Name: 2-dodecylbenzenesulfonic acid; 2-propanol; titanium IUPAC Name: 2-dodecylbenzenesulfonic acid; propan-2-ol; titanium Traditional Name: 2-laurylbesylic acid; propan-2-ol; titanium Formula: C27H54O6STi MolecularWeight: 554.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)O.CC(C)O.CC(C)O.[Ti]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)O.CC(C)O.CC(C)O.[Ti]

InChI

InChI=1S/C18H30O3S.3C3H8O.Ti/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;3*1-3(2)4;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);3*3-4H,1-2H3;