2,4,4-trimethylpentyl 4-(3-oxidanyl-5-phenyl-phenyl)benzoate

Systemtic Name: 2,4,4-trimethylpentyl 4-(3-oxidanyl-5-phenyl-phenyl)benzoate Openeye Name: 2,4,4-trimethylpentyl 4-(3-hydroxy-5-phenyl-phenyl)benzoate CAS Name: 4-(3-hydroxy-5-phenylphenyl)benzoic acid 2,4,4-trimethylpentyl ester IUPAC Name: 2,4,4-trimethylpentyl 4-(3-hydroxy-5-phenylphenyl)benzoate Traditional Name: 4-(3-hydroxy-5-phenyl-phenyl)benzoic acid 2,4,4-trimethylpentyl ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C)COC(=O)C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC(CC(C)(C)C)COC(=O)C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C27H30O3/c1-19(17-27(2,3)4)18-30-26(29)22-12-10-21(11-13-22)24-14-23(15-25(28)16-24)20-8-6-5-7-9-20/h5-16,19,28H,17-18H2,1-4H3