Oxybenzone (dye) structure

Oxybenzone (dye)

12,21-dihydroxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24,26,28(32),33-hexadecaene-29,30-dione

Also Known As: Oxybenzone (dye)|5,10-dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-15,16-dione|Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, dihydroxy-|Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione,dihydroxy-

CAS: 32022-22-3
Molecular Formula C34H16O4
Molecular Weight 488.10486 g/mol
LogP 8.4
Topological Polar Surface Area 74.6 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 0
Exact Mass 488.10486
Monoisotopic Mass 488.10486
Heavy Atoms 38
Complexity 1020.0

Chemical Identifiers

CAS Number 32022-22-3
SMILES C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C6C=CC7=C(C8=CC=CC=C8C9=C7C6=C(C(=C54)C=C3)C(=O)C9=O)O
InChIKey HKKLVMURVKXUTR-UHFFFAOYSA-N

Product Overview

Oxybenzone (dye) (CAS 32022-22-3), with molecular formula C34H16O4 and molecular weight 488.10486 g/mol. IUPAC: 12,21-dihydroxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24,26,28(32),33-hexadecaene-29,30-dione.

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