titanium; 1,2,3-tridodecyl-4-oxidanylsulfanyl-benzene

Systemtic Name: titanium; 1,2,3-tridodecyl-4-oxidanylsulfanyl-benzene Openeye Name: titanium; 1,2,3-tridodecyl-4-hydroxysulfanyl-benzene CAS Name: titanium; 2,3,4-tridodecylbenzenesulfenic acid IUPAC Name: titanium; 1,2,3-tridodecyl-4-hydroxysulfanylbenzene Traditional Name: titanium; 1,2,3-trilauryl-4-sulfeno-benzene Formula: C168H312O4S4Ti MolecularWeight: 2572.39948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)SO)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)SO)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)SO)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)SO)CCCCCCCCCCCC)CCCCCCCCCCCC.[Ti]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)SO)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)SO)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)SO)CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)SO)CCCCCCCCCCCC)CCCCCCCCCCCC.[Ti]

InChI

InChI=1S/4C42H78OS.Ti/c4*1-4-7-10-13-16-19-22-25-28-31-34-39-37-38-42(44-43)41(36-33-30-27-24-21-18-15-12-9-6-3)40(39)35-32-29-26-23-20-17-14-11-8-5-2;/h4*37-38,43H,4-36H2,1-3H3;