1-dodecyl-2-sulfinato-benzene; 3-propan-2-yl-4-sulfinato-aniline; titanium(3+)

Systemtic Name: 1-dodecyl-2-sulfinato-benzene; 3-propan-2-yl-4-sulfinato-aniline; titanium(3+) Openeye Name: 1-dodecyl-2-sulfinato-benzene; 3-isopropyl-4-sulfinato-aniline; titanium(3+) CAS Name: 1-dodecyl-2-sulfinatobenzene; 3-propan-2-yl-4-sulfinatoaniline; titanium(3+) IUPAC Name: 1-dodecyl-2-sulfinatobenzene; 3-propan-2-yl-4-sulfinatoaniline; titanium(3+) Traditional Name: (3-isopropyl-4-sulfinato-phenyl)amine; 1-lauryl-2-sulfinato-benzene; titanium(3+) Formula: C45H70NO6S3Ti MolecularWeight: 865.1024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CC(C)C1=C(C=CC(=C1)N)[S-](=O)=O.[Ti+3]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CCCCCCCCCCCCC1=CC=CC=C1[S-](=O)=O.CC(C)C1=C(C=CC(=C1)N)[S-](=O)=O.[Ti+3]

InChI

InChI=1S/2C18H29O2S.C9H12NO2S.Ti/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)21(19)20;1-6(2)8-5-7(10)3-4-9(8)13(11)12;/h2*12-13,15-16H,2-11,14H2,1H3;3-6H,10H2,1-2H3;/q3*-1;+3