4-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-4,5,7,9-tetrahydro-2H-xanthen-9-yl]benzenecarbonitrile

Systemtic Name: 4-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-4,5,7,9-tetrahydro-2H-xanthen-9-yl]benzenecarbonitrile Openeye Name: 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)benzonitrile CAS Name: 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)benzonitrile IUPAC Name: 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)benzonitrile Traditional Name: 4-(1,8-diketo-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthen-9-yl)benzonitrile Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)C#N)C(=O)C1)C

InChI

InChI=1S/C24H25NO3/c1-23(2)9-16(26)21-18(11-23)28-19-12-24(3,4)10-17(27)22(19)20(21)15-7-5-14(13-25)6-8-15/h5-8,20H,9-12H2,1-4H3