sulisobenzone

Synonyms: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid, "2-hydroxy-4-methoxybenzophenone-5-sulfonic acid", "2-hydroxy-4-methoxy-5-sulfobenzophenone", "sungard", "benzophenone 4", "Uval", "Sulisobenzona", "Sulisobenzonum", "Uvinul", "Seesorb 101S", "Syntase 230", "Uvinul MS 40", "sulisobenzone", "benzophenone-4", "MS 40".

Source: Sulisobenzone is widely employed in sunscreens and other personal care products.

Identifiers:

IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CAS Number: 4065-45-6
PubChem ID: 19988
InChiKey: CXVGEDCSTKKODG-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Structural Properties:

Molecular Formula: C₁₄H₁₂O₆S
Molecular Weight: 308.3

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 6
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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