Bis-(3-allyl-4-hydroxyphenyl) sulfone

Synonyms: "4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]", "3-Allyl-4-hydroxyphenyl sulfone", "2,2'-Diallyl-4,4'-sulfonyldiphenol"

Source: Bis-(3-allyl-4-hydroxyphenyl) sulfone is an alternative for bisphenol A in thermal paper.

Identifiers:

IUPAC Name: 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol
CAS Number: 41481-66-7
PubChem ID: 833466
InChiKey: MTMKZABGIQJAEX-UHFFFAOYSA-N
Canonical SMILES: C=CCC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CC=C)O

Structural Properties:

Molecular Formula: C18H18O4S
Molecular Weight: 330.4

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 23

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3D structure (.sdf)
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3D structure (.pdbqt)

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Bj?rnsdotter, M. K., de Boer, J., & Ballesteros-G?mez, A. (2017). Bisphenol A and replacements in thermal paper: A review. Chemosphere, 182, 691-706.

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2D-structure

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3D-structure

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