2-ethylhexyl 2-[[3-[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanylmethyl]-2H-perimidin-1-yl]methylsulfanyl]ethanoate

Systemtic Name: 2-ethylhexyl 2-[[3-[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanylmethyl]-2H-perimidin-1-yl]methylsulfanyl]ethanoate Openeye Name: 2-ethylhexyl 2-[[3-[[2-(2-ethylhexoxy)-2-oxo-ethyl]sulfanylmethyl]-2H-perimidin-1-yl]methylsulfanyl]acetate CAS Name: 2-[[3-[[[2-(2-ethylhexoxy)-2-oxoethyl]thio]methyl]-2H-perimidin-1-yl]methylthio]acetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-[[3-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylmethyl]-2H-perimidin-1-yl]methylsulfanyl]acetate Traditional Name: 2-[[3-[[[2-(2-ethylhexoxy)-2-keto-ethyl]thio]methyl]-2H-perimidin-1-yl]methylthio]acetic acid 2-ethylhexyl ester Formula: C33H50N2O4S2 MolecularWeight: 602.8911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CSCN1CN(C2=CC=CC3=C2C1=CC=C3)CSCC(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COC(=O)CSCN1CN(C2=CC=CC3=C2C1=CC=C3)CSCC(=O)OCC(CC)CCCC

InChI

InChI=1S/C33H50N2O4S2/c1-5-9-13-26(7-3)19-38-31(36)21-40-24-34-23-35(30-18-12-16-28-15-11-17-29(34)33(28)30)25-41-22-32(37)39-20-27(8-4)14-10-6-2/h11-12,15-18,26-27H,5-10,13-14,19-25H2,1-4H3