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7-(4-Methylphenyl)-5,6,8,9-tetrahydrodibenzo[c,h]xanthenium [dihydroxy(oxido)-λ⁵-chloranyl]oxidanide

ChemSpider ID: 2080301
Molecular Formula: C₂₈H₂₅ClO₅
Average mass: 476.94809 Da
Monoisotopic mass: 476.139038 Da
Systematic name

7-(4-Methylphenyl)-5,6,8,9-tetrahydrodibenzo[c,h]xanthenium [dihydroxy(oxido)-λ⁵-chloranyl]oxidanide
SMILES and InChIs

SMILES:

[O-]Cl(=O)(O)O.[o+]1c5c(c(c3c1c2ccccc2CC3)c4ccc(cc4)C)CCc6c5cccc6 Copied

Std. InChI:

InChI=1S/C28H23O.ClH3O4/c1-18-10-12-21(13-11-18)26-24-16-14-19-6-2-4-8-22(19)27(24)29-28-23-9-5-3-7-20(23)15-17-25(26)28;2-1(3,4)5/h2-13H,14-17H2,1H3;(H3,2,3,4,5)/q+1;/p-1 Copied

Std. InChIKey:

RQVKPOGJVQDGDM-UHFFFAOYSA-M Copied
Cite this record
CSID:2080301, http://www.chemspider.com/Chemical-Structure.2080301.html (accessed 04:29, May 23, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

7-(4-methylphenyl)-5H,6H,8H,9H-dibenzo[c,h]xanthenium dihydroxy(oxo)-λ⁵-cloranolate

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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