17N

8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid

Created:	2011-03-22
Last modified:	2012-09-21

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1 entries where 17N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	16

2D diagram of 17N

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Chemical Component Summary
Name	8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	8-methoxynaphtho[1,2-e][1,3]benzodioxole-5,6-dicarboxylic acid
Formula	C₁₈ H₁₂ O₇
Molecular Weight	340.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c3c1c(cc4c(c1c2OCOc2c3)cccc4OC)C(=O)O
SMILES	CACTVS	3.370	COc1cccc2c1cc(C(O)=O)c3c(cc4OCOc4c23)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O
Canonical SMILES	CACTVS	3.370	COc1cccc2c1cc(C(O)=O)c3c(cc4OCOc4c23)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O
InChI	InChI	1.03	InChI=1S/C18H12O7/c1-23-12-4-2-3-8-9(12)5-10(17(19)20)14-11(18(21)22)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)(H,21,22)
InChIKey	InChI	1.03	KTEBZKXXNMHJFH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46184319
ChEMBL	CHEMBL1087295

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