ethyl 2-[[2-(4-bromanylbutoxy)-5-[[4-(4-bromanylbutoxy)-3,5-bis[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]phenyl]methyl]-3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]phenyl]methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[2-(4-bromanylbutoxy)-5-[[4-(4-bromanylbutoxy)-3,5-bis[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]phenyl]methyl]-3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]phenyl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[2-(4-bromobutoxy)-5-[[4-(4-bromobutoxy)-3,5-bis[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]phenyl]methyl]-3-[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-(4-bromobutoxy)-5-[[4-(4-bromobutoxy)-3,5-bis[[(2-ethoxy-2-oxoethyl)thio]methyl]phenyl]methyl]-3-[[(2-ethoxy-2-oxoethyl)thio]methyl]phenyl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromobutoxy)-5-[[4-(4-bromobutoxy)-3,5-bis[(2-ethoxy-2-oxoethyl)sulfanylmethyl]phenyl]methyl]-3-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[2-(4-bromobutoxy)-5-[4-(4-bromobutoxy)-3,5-bis[[(2-ethoxy-2-keto-ethyl)thio]methyl]benzyl]-3-[[(2-ethoxy-2-keto-ethyl)thio]methyl]benzyl]thio]acetic acid ethyl ester Formula: C41H58Br2O10S4 MolecularWeight: 998.96122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=CC(=CC(=C1OCCCCBr)CSCC(=O)OCC)CC2=CC(=C(C(=C2)CSCC(=O)OCC)OCCCCBr)CSCC(=O)OCC

Isomeric SMILES

CCOC(=O)CSCC1=CC(=CC(=C1OCCCCBr)CSCC(=O)OCC)CC2=CC(=C(C(=C2)CSCC(=O)OCC)OCCCCBr)CSCC(=O)OCC

InChI

InChI=1S/C41H58Br2O10S4/c1-5-48-36(44)26-54-22-32-18-30(19-33(23-55-27-37(45)49-6-2)40(32)52-15-11-9-13-42)17-31-20-34(24-56-28-38(46)50-7-3)41(53-16-12-10-14-43)35(21-31)25-57-29-39(47)51-8-4/h18-21H,5-17,22-29H2,1-4H3