Name: Name:Ethanol,2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]-,4-methylbenzenesulfonate (ester)
Brand: Angene
SKU: AG00ABRJ
Rating: 90 (10 reviews)

Ethanol,2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]-,4-methylbenzenesulfonate (ester)

CAS No.:

168784-48-3

Catalog Number:

AG00ABRJ

Molecular Formula:

C21H27NO9S

Molecular Weight:

469.5054

Catalog Number:

AG00ABRJ

Chemical Name:

Ethanol,2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]-,4-methylbenzenesulfonate (ester)

CAS Number:

168784-48-3

Molecular Formula:

C21H27NO9S

Molecular Weight:

469.5054

MDL Number:

MFCD30491823

IUPAC Name:

2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

InChI:

InChI=1S/C21H27NO9S/c1-18-2-8-21(9-3-18)32(25,26)31-17-15-29-13-11-27-10-12-28-14-16-30-20-6-4-19(5-7-20)22(23)24/h2-9H,10-17H2,1H3

InChI Key:

PBZPEXXIMBOMJU-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-]

Complexity:

604

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

469.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

469.505g/mol

Monoisotopic Mass:

469.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

135A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6