2-dodecylbenzenesulfonic acid; propan-2-olate; titanium(4+)

Systemtic Name: 2-dodecylbenzenesulfonic acid; propan-2-olate; titanium(4+) Openeye Name: 2-dodecylbenzenesulfonic acid; propan-2-olate; titanium(4+) CAS Name: 2-dodecylbenzenesulfonic acid; 2-propanolate; titanium(4+) IUPAC Name: 2-dodecylbenzenesulfonic acid; propan-2-olate; titanium(4+) Traditional Name: 2-laurylbesylic acid; propan-2-olate; titanium(4+) Formula: C66H118O13S3Ti MolecularWeight: 1263.69732

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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.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

InChI

InChI=1S/3C18H30O3S.4C3H7O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;4*1-3(2)4;/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);4*3H,1-2H3;/q;;;4*-1;+4