(Oxybis(p-phenylenethio))diacetic acid 2,2',2''-nitrilotriethanol (1:2)

bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[4-[4-(carboxymethylsulfanyl)phenoxy]phenyl]sulfanylacetic acid

CAS: 87298-99-5

Molecular Formula	`C28H44N2O11S2`
Molecular Weight	648.8 g/mol
Topological Polar Surface Area	262.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	15
Rotatable Bonds	20
Exact Mass	648.23865
Heavy Atoms	43
Complexity	408.0

Chemical Identifiers

CAS Number	87298-99-5
SMILES	`C1=CC(=CC=C1OC2=CC=C(C=C2)SCC(=O)O)SCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO`
InChIKey	`OYNLMOCUDVLTRC-UHFFFAOYSA-N`

📖 Product Overview

(Oxybis(p-phenylenethio))diacetic acid 2,2',2''-nitrilotriethanol (1:2) (CAS: 87298-99-5) is a chemical compound with molecular formula C28H44N2O11S2 and molecular weight 648.8 g/mol. Its IUPAC systematic name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[4-[4-(carboxymethylsulfanyl)phenoxy]phenyl]sulfanylacetic acid. Topological Polar Surface Area 262.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 15 Rotatable Bonds 20 Exact Mass 648.23865 Heavy Atoms 43 Complexity 408.0 InChI Key: OYNLMOCUDVLTRC-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)SCC(=O)O)SCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.

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