AC1L4ZOT

2-[[carboxy-(3-chloro-4-cyclohexylphenyl)methyl]disulfanyl]-2-(3-chloro-4-cyclohexylphenyl)acetic acid;bis(N-ethylethanamine)

Also Known As: alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium|Benzeneacetic acid, alpha,alpha'-dithiobis(3-chloro-4-cyclohexyl-, compd. with N-ethylethanamine (1:2)|2,2'-disulfanediylbis[(3-chloro-4-cyclohexylphenyl)acetic acid]- n-ethylethanamine(1:2)|2,2'-Disulfanediylbis[(3-chloro-4-cyclohexylphenyl)acetic acid]--N-ethylethanamine (1/2)|2-(3-chloro-4-cyclohexylphenyl)-2-[[1-(3-chloro-4-cyclohexylphenyl)-2-hydroxy-2-oxoethyl]disulfanyl]acetic acid; N-ethylethanamine

Molecular Formula	C36H54Cl2N2O4S2
Molecular Weight	712.2902 g/mol
LogP	10.6534
Topological Polar Surface Area	149.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	13
Exact Mass	712.2902
Monoisotopic Mass	712.2902
Heavy Atoms	46
Complexity	679.0

Chemical Identifiers

CAS Number	41287-29-0
SMILES	CCNCC.CCNCC.C1CCC(CC1)C2=C(C=C(C=C2)C(C(=O)O)SSC(C3=CC(=C(C=C3)C4CCCCC4)Cl)C(=O)O)Cl
InChIKey	KCDZGPBNSVLSDN-UHFFFAOYSA-N