Name: Name:Toluene-4-sulfonic acid cis-3-benzyloxycyclobutyl ester
Brand: Angene
SKU: AG009CNT
Rating: 90 (10 reviews)

Toluene-4-sulfonic acid cis-3-benzyloxycyclobutyl ester

CAS No.:

1262278-62-5

Catalog Number:

AG009CNT

Molecular Formula:

C18H20O4S

Molecular Weight:

332.4140

Catalog Number:

AG009CNT

Chemical Name:

Toluene-4-sulfonic acid cis-3-benzyloxycyclobutyl ester

CAS Number:

1262278-62-5

Molecular Formula:

C18H20O4S

Molecular Weight:

332.4140

MDL Number:

MFCD29918658

IUPAC Name:

(3-phenylmethoxycyclobutyl) 4-methylbenzenesulfonate

InChI:

InChI=1S/C18H20O4S/c1-14-7-9-18(10-8-14)23(19,20)22-17-11-16(12-17)21-13-15-5-3-2-4-6-15/h2-10,16-17H,11-13H2,1H3

InChI Key:

OZZFTTRVVCIFDV-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)O[C@@H]1C[C@@H](C1)OCc1ccccc1

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.108g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.414g/mol

Monoisotopic Mass:

332.108g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5