3-(1-adamantyl)-4-methoxy-4-(2-methylphenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 3-(1-adamantyl)-4-methoxy-4-(2-methylphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 3-(1-adamantyl)-4-methoxy-4-(o-tolyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 3-(1-adamantyl)-4-methoxy-4-(2-methylphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 3-(1-adamantyl)-4-methoxy-4-(2-methylphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 3-(1-adamantyl)-4-methoxy-4-(o-tolyl)cyclohexa-2,5-diene-1-carboxylate Formula: C25H29O3- MolecularWeight: 377.49596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C=CC(C=C2C34CC5CC(C3)CC(C5)C4)C(=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1C2(C=CC(C=C2C34CC5CC(C3)CC(C5)C4)C(=O)[O-])OC

InChI

InChI=1S/C25H30O3/c1-16-5-3-4-6-21(16)25(28-2)8-7-20(23(26)27)12-22(25)24-13-17-9-18(14-24)11-19(10-17)15-24/h3-8,12,17-20H,9-11,13-15H2,1-2H3,(H,26,27)/p-1