2-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzenecarbonitrile Openeye Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxymethyl]benzonitrile CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxymethyl]benzonitrile IUPAC Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxymethyl]benzonitrile Traditional Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxymethyl]benzonitrile Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=CC=C4C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C27H22ClNO3/c1-27(2,3)20-10-8-17(9-11-20)25-26(31-16-19-7-5-4-6-18(19)15-29)24(30)22-14-21(28)12-13-23(22)32-25/h4-14H,16H2,1-3H3