323

2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate

Created:	2008-06-30
Last modified:	2024-09-27

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4 entries where 323 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	18

2D diagram of 323

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Chemical Component Summary
Name	2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate
Synonyms	5-Carboxy-N,N'-tetramethyl rhodamine
Systematic Name (OpenEye OEToolkits)	2-(3-dimethylamino-6-dimethylazaniumylidene-xanthen-9-yl)-5-methanoyl-benzoate
Formula	C₂₅ H₂₂ N₂ O₄
Molecular Weight	414.453
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]C(=O)c4cc(C=O)ccc4C=1c3c(OC=2C=1C=C/C(=[N+](/C)C)C=2)cc(cc3)N(C)C
SMILES	CACTVS	3.341	CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(C=O)cc4C([O-])=O)=[N+](C)C)c1
SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O
Canonical SMILES	CACTVS	3.341	CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(C=O)cc4C([O-])=O)=[N+](C)C)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O
InChI	InChI	1.03	InChI=1S/C25H22N2O4/c1-26(2)16-6-9-19-22(12-16)31-23-13-17(27(3)4)7-10-20(23)24(19)18-8-5-15(14-28)11-21(18)25(29)30/h5-14H,1-4H3
InChIKey	InChI	1.03	ZFGLYCCNMJCDCP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49866479

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