7M7

4-bromophenyl 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 7M7 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 7M7

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Chemical Component Summary
Name	4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
Systematic Name (OpenEye OEToolkits)	(4-bromophenyl) 3,4-bis(4-hydroxyphenyl)benzenesulfonate
Formula	C₂₄ H₁₇ Br O₅ S
Molecular Weight	497.358
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccc(cc2)Br)ccc3c4ccc(cc4)O
SMILES	CACTVS	3.385	Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccc(Br)cc4
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccc(Br)cc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O
InChI	InChI	1.03	InChI=1S/C24H17BrO5S/c25-18-5-11-21(12-6-18)30-31(28,29)22-13-14-23(16-1-7-19(26)8-2-16)24(15-22)17-3-9-20(27)10-4-17/h1-15,26-27H
InChIKey	InChI	1.03	TXLBJIUVIDPKOC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	123133791

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