A1CFI

7-anilino-4-hydroxynaphthalene-2-sulfonic acid

Created:	2025-06-09
Last modified:	2026-02-04

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2 entries where A1CFI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	17

2D diagram of A1CFI

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Chemical Component Summary
Name	7-anilino-4-hydroxynaphthalene-2-sulfonic acid
Systematic Name (OpenEye OEToolkits)	4-oxidanyl-7-phenylazanyl-naphthalene-2-sulfonic acid
Formula	C₁₆ H₁₃ N O₄ S
Molecular Weight	315.344
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc1ccccc1
SMILES	CACTVS	3.385	Oc1cc(cc2cc(Nc3ccccc3)ccc12)[S](O)(=O)=O
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O
Canonical SMILES	CACTVS	3.385	Oc1cc(cc2cc(Nc3ccccc3)ccc12)[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O
InChI	InChI	1.06	InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)
InChIKey	InChI	1.06	YGNDWDUEMICDLW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	67065
ChEMBL	CHEMBL1716317

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