titanium; 3,4,5-tris-decyl-2-propan-2-yl-benzenesulfonic acid

Systemtic Name: titanium; 3,4,5-tris-decyl-2-propan-2-yl-benzenesulfonic acid Openeye Name: titanium; 3,4,5-tris-decyl-2-isopropyl-benzenesulfonic acid CAS Name: titanium; 3,4,5-tris-decyl-2-propan-2-ylbenzenesulfonic acid IUPAC Name: titanium; 3,4,5-tris-decyl-2-propan-2-ylbenzenesulfonic acid Traditional Name: titanium; 3,4,5-tris-decyl-2-isopropyl-besylic acid Formula: C156H288O12S4Ti MolecularWeight: 2532.07572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)C(C)C)S(=O)(=O)O.CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)C(C)C)S(=O)(=O)O.CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)C(C)C)S(=O)(=O)O.CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)C(C)C)S(=O)(=O)O.[Ti]

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)C(C)C)S(=O)(=O)O.CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)C(C)C)S(=O)(=O)O.CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)C(C)C)S(=O)(=O)O.CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)C(C)C)S(=O)(=O)O.[Ti]

InChI

InChI=1S/4C39H72O3S.Ti/c4*1-6-9-12-15-18-21-24-27-30-35-33-38(43(40,41)42)39(34(4)5)37(32-29-26-23-20-17-14-11-8-3)36(35)31-28-25-22-19-16-13-10-7-2;/h4*33-34H,6-32H2,1-5H3,(H,40,41,42);