2-(tert-butylsulfanylmethyl)-4-ethoxy-1-(7-ethoxy-3,7-dimethyl-octoxy)benzene

Systemtic Name: 2-(tert-butylsulfanylmethyl)-4-ethoxy-1-(7-ethoxy-3,7-dimethyl-octoxy)benzene Openeye Name: 2-(tert-butylsulfanylmethyl)-4-ethoxy-1-(7-ethoxy-3,7-dimethyl-octoxy)benzene CAS Name: 2-[(tert-butylthio)methyl]-4-ethoxy-1-(7-ethoxy-3,7-dimethyloctoxy)benzene IUPAC Name: 2-(tert-butylsulfanylmethyl)-4-ethoxy-1-(7-ethoxy-3,7-dimethyloctoxy)benzene Traditional Name: 2-[(tert-butylthio)methyl]-4-ethoxy-1-(7-ethoxy-3,7-dimethyl-octoxy)benzene Formula: C25H44O3S MolecularWeight: 424.68006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCCC(C)CCCC(C)(C)OCC)CSC(C)(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCCC(C)CCCC(C)(C)OCC)CSC(C)(C)C

InChI

InChI=1S/C25H44O3S/c1-9-26-22-13-14-23(21(18-22)19-29-24(4,5)6)27-17-15-20(3)12-11-16-25(7,8)28-10-2/h13-14,18,20H,9-12,15-17,19H2,1-8H3