[4-(butylcarbamoylsulfamoyl)phenyl]-(6-oxidanyl-2-phenyl-chromen-4-ylidene)azanium perchlorate

Systemtic Name: [4-(butylcarbamoylsulfamoyl)phenyl]-(6-oxidanyl-2-phenyl-chromen-4-ylidene)azanium perchlorate Openeye Name: [4-(butylcarbamoylsulfamoyl)phenyl]-(6-hydroxy-2-phenyl-chromen-4-ylidene)ammonium perchlorate CAS Name: [4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-(6-hydroxy-2-phenyl-1-benzopyran-4-ylidene)ammonium perchlorate IUPAC Name: [4-(butylcarbamoylsulfamoyl)phenyl]-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate Traditional Name: [4-(butylcarbamoylsulfamoyl)phenyl]-(6-hydroxy-2-phenyl-chromen-4-ylidene)ammonium perchlorate Formula: C26H26ClN3O9S MolecularWeight: 592.01734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)[NH+]=C2C=C(OC3=C2C=C(C=C3)O)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)[NH+]=C2C=C(OC3=C2C=C(C=C3)O)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H25N3O5S.ClHO4/c1-2-3-15-27-26(31)29-35(32,33)21-12-9-19(10-13-21)28-23-17-25(18-7-5-4-6-8-18)34-24-14-11-20(30)16-22(23)24;2-1(3,4)5/h4-14,16-17,30H,2-3,15H2,1H3,(H2,27,29,31);(H,2,3,4,5)