(4-tert-butyl-2,6-dimethyl-phenyl)methyl 9H-xanthene-9-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 9H-xanthene-9-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H28O3 MolecularWeight: 400.50942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C)C(C)(C)C

InChI

InChI=1S/C27H28O3/c1-17-14-19(27(3,4)5)15-18(2)22(17)16-29-26(28)25-20-10-6-8-12-23(20)30-24-13-9-7-11-21(24)25/h6-15,25H,16H2,1-5H3