3-dodecyl-4-sulfinato-aniline; 1-dodecyl-2-sulfinato-benzene; propane; sulfinatobenzene; titanium(4+)

Systemtic Name: 3-dodecyl-4-sulfinato-aniline; 1-dodecyl-2-sulfinato-benzene; propane; sulfinatobenzene; titanium(4+) Openeye Name: 3-dodecyl-4-sulfinato-aniline; 1-dodecyl-2-sulfinato-benzene; propane; sulfinatobenzene; titanium(4+) CAS Name: 3-dodecyl-4-sulfinatoaniline; 1-dodecyl-2-sulfinatobenzene; propane; sulfinatobenzene; titanium(4+) IUPAC Name: 3-dodecyl-4-sulfinatoaniline; 1-dodecyl-2-sulfinatobenzene; propane; sulfinatobenzene; titanium(4+) Traditional Name: 1-lauryl-2-sulfinato-benzene; (3-lauryl-4-sulfinato-phenyl)amine; propane; sulfinatobenzene; titanium(4+) Formula: C45H71NO6S3Ti MolecularWeight: 866.11034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=C(C=CC(=C1)N)[S-](=O)=O.C[CH-]C.C1=CC=C(C=C1)[S-](=O)=O.[Ti+4]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=C(C=CC(=C1)N)[S-](=O)=O.C[CH-]C.C1=CC=C(C=C1)[S-](=O)=O.[Ti+4]

InChI

InChI=1S/C18H30NO2S.C18H29O2S.C6H5O2S.C3H7.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;/h13-15H,2-12,19H2,1H3;12-13,15-16H,2-11,14H2,1H3;1-5H;3H,1-2H3;/q4*-1;+4