ZT2

5-[(E)-(2-OXO-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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2 entries where ZT2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of ZT2

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Chemical Component Summary
Name	5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	5-[(E)-(2-oxidanylidene-3H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
Formula	C₁₈ H₁₂ O₅
Molecular Weight	308.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2C(\c1ccccc1C2)=C\c3ccc4OCOc4c3C(=O)O
SMILES	CACTVS	3.385	OC(=O)c1c2OCOc2ccc1C=C3C(=O)Cc4ccccc34
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)CC(=O)C2=Cc3ccc4c(c3C(=O)O)OCO4
Canonical SMILES	CACTVS	3.385	OC(=O)c1c2OCOc2ccc1\C=C/3C(=O)Cc4ccccc/34
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4
InChI	InChI	1.03	InChI=1S/C18H12O5/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/h1-7H,8-9H2,(H,20,21)/b13-7+
InChIKey	InChI	1.03	WRNAEMYUELGDPO-NTUHNPAUSA-N

Related Resource References

Resource Name	Reference
PubChem	57345925

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