2-dodecylbenzenesulfonic acid; titanium

Systemtic Name: 2-dodecylbenzenesulfonic acid; titanium Openeye Name: 2-dodecylbenzenesulfonic acid; titanium CAS Name: 2-dodecylbenzenesulfonic acid; titanium IUPAC Name: 2-dodecylbenzenesulfonic acid; titanium Traditional Name: 2-laurylbesylic acid; titanium Formula: C72H120O12S4Ti MolecularWeight: 1353.843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C18H30O3S.Ti/c4*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h4*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);