3-dodecyl-4-sulfinato-aniline; 1-dodecyl-2-sulfinato-benzene; oxidanyl(oxidanylidene)titanium; propan-2-ol; sulfinatobenzene

Systemtic Name: 3-dodecyl-4-sulfinato-aniline; 1-dodecyl-2-sulfinato-benzene; oxidanyl(oxidanylidene)titanium; propan-2-ol; sulfinatobenzene Openeye Name: 3-dodecyl-4-sulfinato-aniline; 1-dodecyl-2-sulfinato-benzene; hydroxy(oxo)titanium; propan-2-ol; sulfinatobenzene CAS Name: 3-dodecyl-4-sulfinatoaniline; 1-dodecyl-2-sulfinatobenzene; hydroxy(oxo)titanium; 2-propanol; sulfinatobenzene IUPAC Name: 3-dodecyl-4-sulfinatoaniline; 1-dodecyl-2-sulfinatobenzene; hydroxy(oxo)titanium; propan-2-ol; sulfinatobenzene Traditional Name: hydroxy(keto)titanium; 1-lauryl-2-sulfinato-benzene; (3-lauryl-4-sulfinato-phenyl)amine; propan-2-ol; sulfinatobenzene Formula: C45H73NO9S3Ti-3 MolecularWeight: 916.12442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=C(C=CC(=C1)N)[S-](=O)=O.CC(C)O.C1=CC=C(C=C1)[S-](=O)=O.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=C(C=CC(=C1)N)[S-](=O)=O.CC(C)O.C1=CC=C(C=C1)[S-](=O)=O.O[Ti]=O

InChI

InChI=1S/C18H30NO2S.C18H29O2S.C6H5O2S.C3H8O.H2O.O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)22(20)21;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)21(19)20;7-9(8)6-4-2-1-3-5-6;1-3(2)4;;;/h13-15H,2-12,19H2,1H3;12-13,15-16H,2-11,14H2,1H3;1-5H;3-4H,1-2H3;1H2;;/q3*-1;;;;+1/p-1