91L

1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Created:	2017-11-30
Last modified:	2018-12-05

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1 entries where 91L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of 91L

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Chemical Component Summary
Name	1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
Formula	C₁₅ H₉ N O₅
Molecular Weight	283.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc(c3c(c1N)C(c2c(cccc2)C3=O)=O)O)C(O)=O
SMILES	CACTVS	3.385	Nc1c(cc(O)c2C(=O)c3ccccc3C(=O)c12)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O
Canonical SMILES	CACTVS	3.385	Nc1c(cc(O)c2C(=O)c3ccccc3C(=O)c12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C15H9NO5/c16-12-8(15(20)21)5-9(17)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2,(H,20,21)
InChIKey	InChI	1.03	MQFPVUCMBCTZAD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3853312

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