(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(5-oxidanylidenecyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(5-oxidanylidenecyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(5-oxocyclopenten-1-yl)oxy-chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(5-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(5-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-(5-ketocyclopenten-1-yl)oxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CCCC3=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=CCCC3=O)O)C

InChI

InChI=1S/C17H17NO4/c1-17(2)16(20)15(21-14-5-3-4-12(14)19)11-8-10(9-18)6-7-13(11)22-17/h5-8,15-16,20H,3-4H2,1-2H3/t15-,16+/m1/s1