4,5-didodecyl-2,3-di(propan-2-yl)benzenesulfonic acid; titanium

Systemtic Name: 4,5-didodecyl-2,3-di(propan-2-yl)benzenesulfonic acid; titanium Openeye Name: 4,5-didodecyl-2,3-diisopropyl-benzenesulfonic acid; titanium CAS Name: 4,5-didodecyl-2,3-di(propan-2-yl)benzenesulfonic acid; titanium IUPAC Name: 4,5-didodecyl-2,3-di(propan-2-yl)benzenesulfonic acid; titanium Traditional Name: 2,3-diisopropyl-4,5-dilauryl-besylic acid; titanium Formula: C144H264O12S4Ti MolecularWeight: 2363.75676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)C(C)C)C(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)C(C)C)C(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)C(C)C)C(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)C(C)C)C(C)C)S(=O)(=O)O.[Ti]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)C(C)C)C(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)C(C)C)C(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)C(C)C)C(C)C)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)C(C)C)C(C)C)S(=O)(=O)O.[Ti]

InChI

InChI=1S/4C36H66O3S.Ti/c4*1-7-9-11-13-15-17-19-21-23-25-27-32-29-34(40(37,38)39)36(31(5)6)35(30(3)4)33(32)28-26-24-22-20-18-16-14-12-10-8-2;/h4*29-31H,7-28H2,1-6H3,(H,37,38,39);