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A1CFI

Summary
Name:7-anilino-4-hydroxynaphthalene-2-sulfonic acid
Formula:C16 H13 N O4 S
Formal charge:0
Formula weight:315.344 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.527-anilino-4-hydroxynaphthalene-2-sulfonic acid
OpenEye OEToolkits3.1.0.04-oxidanyl-7-phenylazanyl-naphthalene-2-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc1ccccc1
InChIInChI1.06InChI=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)
InChIKeyInChI1.06YGNDWDUEMICDLW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(cc2cc(Nc3ccccc3)ccc12)[S](O)(=O)=O
SMILESCACTVS3.385Oc1cc(cc2cc(Nc3ccccc3)ccc12)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O

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PDB entries from 2026-02-04

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