1,3-bis(3,4-dimethylphenyl)adamantane

Systemtic Name: 1,3-bis(3,4-dimethylphenyl)adamantane Openeye Name: 1,3-bis(3,4-dimethylphenyl)adamantane CAS Name: 1,3-bis(3,4-dimethylphenyl)adamantane IUPAC Name: 1,3-bis(3,4-dimethylphenyl)adamantane Traditional Name: 1,3-bis(3,4-dimethylphenyl)adamantane Formula: C26H32 MolecularWeight: 344.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)C)C)C

InChI

InChI=1S/C26H32/c1-17-5-7-23(9-19(17)3)25-12-21-11-22(13-25)15-26(14-21,16-25)24-8-6-18(2)20(4)10-24/h5-10,21-22H,11-16H2,1-4H3