2-[2,7-ditert-butyl-5-(cyanomethyl)-9,9-dimethyl-xanthen-4-yl]ethanenitrile

Systemtic Name: 2-[2,7-ditert-butyl-5-(cyanomethyl)-9,9-dimethyl-xanthen-4-yl]ethanenitrile Openeye Name: 2-[2,7-ditert-butyl-5-(cyanomethyl)-9,9-dimethyl-xanthen-4-yl]acetonitrile CAS Name: 2-[2,7-ditert-butyl-5-(cyanomethyl)-9,9-dimethyl-4-xanthenyl]acetonitrile IUPAC Name: 2-[2,7-ditert-butyl-5-(cyanomethyl)-9,9-dimethylxanthen-4-yl]acetonitrile Traditional Name: 2-[2,7-ditert-butyl-5-(cyanomethyl)-9,9-dimethyl-xanthen-4-yl]acetonitrile Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2OC3=C(C=C(C=C31)C(C)(C)C)CC#N)CC#N)C(C)(C)C)C

Isomeric SMILES

CC1(C2=CC(=CC(=C2OC3=C(C=C(C=C31)C(C)(C)C)CC#N)CC#N)C(C)(C)C)C

InChI

InChI=1S/C27H32N2O/c1-25(2,3)19-13-17(9-11-28)23-21(15-19)27(7,8)22-16-20(26(4,5)6)14-18(10-12-29)24(22)30-23/h13-16H,9-10H2,1-8H3