4-[(E)-1-(phenylsulfonyl)tetradec-1-en-2-yl]sulfonylaniline; titanium; tetrahydrate

Systemtic Name: 4-[(E)-1-(phenylsulfonyl)tetradec-1-en-2-yl]sulfonylaniline; titanium; tetrahydrate Openeye Name: 4-[(1E)-1-(benzenesulfonylmethylene)tridecyl]sulfonylaniline; titanium; tetrahydrate CAS Name: 4-[(E)-1-(benzenesulfonyl)tetradec-1-en-2-yl]sulfonylaniline; titanium; tetrahydrate IUPAC Name: 4-[(E)-1-(benzenesulfonyl)tetradec-1-en-2-yl]sulfonylaniline; titanium; tetrahydrate Traditional Name: [4-[(E)-2-besyl-1-lauryl-vinyl]sulfonylphenyl]amine; titanium; tetrahydrate Formula: C26H45NO8S2Ti MolecularWeight: 611.6344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=CS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N.O.O.O.O.[Ti]

Isomeric SMILES

CCCCCCCCCCCC/C(=C\S(=O)(=O)C1=CC=CC=C1)/S(=O)(=O)C2=CC=C(C=C2)N.O.O.O.O.[Ti]

InChI

InChI=1S/C26H37NO4S2.4H2O.Ti/c1-2-3-4-5-6-7-8-9-10-12-17-26(22-32(28,29)24-15-13-11-14-16-24)33(30,31)25-20-18-23(27)19-21-25;;;;;/h11,13-16,18-22H,2-10,12,17,27H2,1H3;4*1H2;/b26-22+;;;;;