4-[[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl]methylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl]methylsulfonyl]benzenecarbonitrile Openeye Name: 4-[[3-[cyclopropyl-(2-hydroxy-4-oxo-chromen-3-yl)methyl]phenyl]methylsulfonyl]benzonitrile CAS Name: 4-[[3-[cyclopropyl-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]phenyl]methylsulfonyl]benzonitrile IUPAC Name: 4-[[3-[cyclopropyl-(2-hydroxy-4-oxochromen-3-yl)methyl]phenyl]methylsulfonyl]benzonitrile Traditional Name: 4-[3-[cyclopropyl-(2-hydroxy-4-keto-chromen-3-yl)methyl]benzyl]sulfonylbenzonitrile Formula: C27H21NO5S MolecularWeight: 471.52434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=CC(=C2)CS(=O)(=O)C3=CC=C(C=C3)C#N)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

C1CC1C(C2=CC=CC(=C2)CS(=O)(=O)C3=CC=C(C=C3)C#N)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C27H21NO5S/c28-15-17-8-12-21(13-9-17)34(31,32)16-18-4-3-5-20(14-18)24(19-10-11-19)25-26(29)22-6-1-2-7-23(22)33-27(25)30/h1-9,12-14,19,24,30H,10-11,16H2