Nombre: 2-[(1R,2R)-2-[2-(3,5-ditert-butylphenyl)ethyl]cyclopentyl]-4-methylbenzenesulfonate

SMILES: CC1=CC(=C(C=C1)S(=O)(=O)[O-])C2CCCC2CCC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Molecular Processing

Molecular formula

C28H39O3S-

Molecular weight

455.68

Exact mass

455.2625

XLogP

7.01

TPSA

57.2

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

-1

Heteroatoms

Covalent units

Fraction Csp3

0.571

Molar refractivity

131.39

Supplementary Information

InChIKey: WCNSQUFCVSWCKZ-ZJSXRUAMSA-M

Sinónimos

WCNSQUFCVSWCKZ-ZJSXRUAMSA-M(cis)-2-[2-[3,5-bis(1,1-dimethylethyl)phenyl]-ethyl]cyclopentyl-4-methylbenzenesulfonate