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-
| 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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