2-(2-methyldodecan-3-yl)benzenesulfonic acid; titanium

Systemtic Name: 2-(2-methyldodecan-3-yl)benzenesulfonic acid; titanium Openeye Name: 2-(1-isopropyldecyl)benzenesulfonic acid; titanium CAS Name: 2-(2-methyldodecan-3-yl)benzenesulfonic acid; titanium IUPAC Name: 2-(2-methyldodecan-3-yl)benzenesulfonic acid; titanium Traditional Name: 2-(1-isopropyldecyl)besylic acid; titanium Formula: C76H128O12S4Ti MolecularWeight: 1409.94932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)C(C)C.CCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)C(C)C.CCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)C(C)C.CCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)C(C)C.[Ti]

Isomeric SMILES

CCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)C(C)C.CCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)C(C)C.CCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)C(C)C.CCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)C(C)C.[Ti]

InChI

InChI=1S/4C19H32O3S.Ti/c4*1-4-5-6-7-8-9-10-13-17(16(2)3)18-14-11-12-15-19(18)23(20,21)22;/h4*11-12,14-17H,4-10,13H2,1-3H3,(H,20,21,22);