7M1

phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate

Created:	2016-11-16
Last modified:	2017-01-18

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1 entries where 7M1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	24

2D diagram of 7M1

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Chemical Component Summary
Name	phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
Systematic Name (OpenEye OEToolkits)	phenyl 3,4-bis(4-hydroxyphenyl)benzenesulfonate
Formula	C₂₄ H₁₈ O₅ S
Molecular Weight	418.462
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccccc2)ccc3c4ccc(cc4)O
SMILES	CACTVS	3.385	Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O
InChI	InChI	1.03	InChI=1S/C24H18O5S/c25-19-10-6-17(7-11-19)23-15-14-22(16-24(23)18-8-12-20(26)13-9-18)30(27,28)29-21-4-2-1-3-5-21/h1-16,25-26H
InChIKey	InChI	1.03	OBWTWQODGLXVRA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	123133790

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