What is the molecular formula of the compound with PubChem CID 135462958?
The molecular formula is C34H25N2NaO6S.
What are some synonyms for the compound with PubChem CID 135462958?
Some synonyms include ACID VIOLET 9, sodium 2-[3-(4-sulfonato-o-tolyliminio)-6-o-toluidino-3H-xanthen-9-yl]benzoate, SCHEMBL94918, and DTXSID3044968.
What is the molecular weight of the compound with PubChem CID 135462958?
The molecular weight is 612.6 g/mol.
What is the IUPAC name of the compound with PubChem CID 135462958?
The IUPAC name is sodium;2-[3-(2-methylanilino)-6-(2-methyl-4-sulfonatoanilino)xanthen-10-ium-9-yl]benzoate.
What is the InChI of the compound with PubChem CID 135462958?
The InChI is InChI=1S/C34H26N2O6S.Na/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)43(39,40)41)12-15-28(32)33(27)25-8-4-5-9-26(25)34(37)38;/h3-19,35-36H,1-2H3,(H-,37,38,39,40,41);/q;+1/p-1.
What is the InChIKey of the compound with PubChem CID 135462958?
The InChIKey is UWMZZSRDUVJJDP-UHFFFAOYSA-M.
What is the canonical SMILES of the compound with PubChem CID 135462958?
The canonical SMILES is CC1=CC=CC=C1NC2=CC3=C(C=C2)C(=C4C=CC(=CC4=[O+]3)NC5=C(C=C(C=C5)S(=O)(=O)[O-])C)C6=CC=CC=C6C(=O)[O-].[Na+].
What is the CAS number of the compound with PubChem CID 135462958?
The CAS number is 6252-76-2.
How many hydrogen bond donor counts does the compound with PubChem CID 135462958 have?
It has 2 hydrogen bond donor counts.
What is the complexity of the compound with PubChem CID 135462958?
The complexity is 1050.
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