5G4

4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol

Created:	2015-09-22
Last modified:	2016-05-04

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1 entries where 5G4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	18

2D diagram of 5G4

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Chemical Component Summary
Name	4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol
Systematic Name (OpenEye OEToolkits)	4-[(E)-C-(4-hydroxyphenyl)-N-(2-methylphenyl)carbonimidoyl]benzene-1,3-diol
Formula	C₂₀ H₁₇ N O₃
Molecular Weight	319.354
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc3ccc(/C(c1c(cc(cc1)O)O)=N\c2c(C)cccc2)cc3
SMILES	CACTVS	3.385	Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3O
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3O)O
Canonical SMILES	CACTVS	3.385	Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3O
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O
InChI	InChI	1.03	InChI=1S/C20H17NO3/c1-13-4-2-3-5-18(13)21-20(14-6-8-15(22)9-7-14)17-11-10-16(23)12-19(17)24/h2-12,22-24H,1H3/b21-20+
InChIKey	InChI	1.03	VXKQHCLQGKBGDO-QZQOTICOSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.