ZT4

5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID

Created:	2011-07-01
Last modified:	2014-09-05

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1 entries where ZT4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	12

2D diagram of ZT4

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Chemical Component Summary
Name	5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	5-[(2-oxidanyl-2,3-dihydroinden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
Formula	C₁₈ H₁₄ O₅
Molecular Weight	310.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1c(ccc2OCOc12)/C=C4\c3ccccc3CC4O
SMILES	CACTVS	3.385	O[CH]1Cc2ccccc2C1=Cc3ccc4OCOc4c3C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O
Canonical SMILES	CACTVS	3.385	O[C@H]1Cc2ccccc2\C1=C/c3ccc4OCOc4c3C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O
InChI	InChI	1.03	InChI=1S/C18H14O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7,14,19H,8-9H2,(H,20,21)/b13-7+/t14-/m0/s1
InChIKey	InChI	1.03	SLQGUUWKGRSNCG-GUNGLEHYSA-N

Related Resource References

Resource Name	Reference
PubChem	137350219

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