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

Systemtic Name: 2-(2-methylpentadecan-3-yl)benzenesulfonic acid; titanium Openeye Name: 2-(1-isopropyltridecyl)benzenesulfonic acid; titanium CAS Name: 2-(2-methylpentadecan-3-yl)benzenesulfonic acid; titanium IUPAC Name: 2-(2-methylpentadecan-3-yl)benzenesulfonic acid; titanium Traditional Name: 2-(1-isopropyltridecyl)besylic acid; titanium Formula: C88H152O12S4Ti MolecularWeight: 1578.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C22H38O3S.Ti/c4*1-4-5-6-7-8-9-10-11-12-13-16-20(19(2)3)21-17-14-15-18-22(21)26(23,24)25;/h4*14-15,17-20H,4-13,16H2,1-3H3,(H,23,24,25);