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5-(1-adamantyl)-2-(3-ethylphenyl)isoindole-1,3-dione

5-(1-adamantyl)-2-(3-ethylphenyl)isoindole-1,3-dione

Systemtic Name:5-(1-adamantyl)-2-(3-ethylphenyl)isoindole-1,3-dione
Openeye Name:5-(1-adamantyl)-2-(3-ethylphenyl)isoindoline-1,3-dione
CAS Name:5-(1-adamantyl)-2-(3-ethylphenyl)isoindole-1,3-dione
IUPAC Name:5-(1-adamantyl)-2-(3-ethylphenyl)isoindole-1,3-dione
Traditional Name:5-(1-adamantyl)-2-(3-ethylphenyl)isoindoline-1,3-quinone
Formula: C26H27NO2
MolecularWeight: 385.49808
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5


Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5


InChI

InChI=1S/C26H27NO2/c1-2-16-4-3-5-21(11-16)27-24(28)22-7-6-20(12-23(22)25(27)29)26-13-17-8-18(14-26)10-19(9-17)15-26/h3-7,11-12,17-19H,2,8-10,13-15H2,1H3


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