SS8

3-PHENETHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID

Created:	2013-02-15
Last modified:	2013-05-15

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1 entries where SS8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	15

2D diagram of SS8

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Chemical Component Summary
Name	3-PHENETHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	3-[(Z)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Formula	C₁₅ H₁₁ N O₃
Molecular Weight	253.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c3cc2occ(\C=C/c1ccccc1)c2n3
SMILES	CACTVS	3.370	OC(=O)c1[nH]c2c(occ2C=Cc3ccccc3)c1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C=Cc2coc3c2[nH]c(c3)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)c1[nH]c2c(occ2\C=C/c3ccccc3)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H11NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,17,18)/b7-6-
InChIKey	InChI	1.03	VJXSERLPOOWZGU-SREVYHEPSA-N

Related Resource References

Resource Name	Reference
PubChem	137350021

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