3-[6-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)hexoxycarbonyl]benzoic acid

Systemtic Name: 3-[6-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)hexoxycarbonyl]benzoic acid Openeye Name: 3-[6-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)hexoxycarbonyl]benzoic acid CAS Name: 3-[6-(3-tert-butyl-4-hydroxy-5-methylphenyl)hexoxy-oxomethyl]benzoic acid IUPAC Name: 3-[6-(3-tert-butyl-4-hydroxy-5-methylphenyl)hexoxycarbonyl]benzoic acid Traditional Name: 3-[6-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)hexoxycarbonyl]benzoic acid Formula: C25H32O5 MolecularWeight: 412.51858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCCCCCOC(=O)C2=CC=CC(=C2)C(=O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCCCCCOC(=O)C2=CC=CC(=C2)C(=O)O)C(C)(C)C)O

InChI

InChI=1S/C25H32O5/c1-17-14-18(15-21(22(17)26)25(2,3)4)10-7-5-6-8-13-30-24(29)20-12-9-11-19(16-20)23(27)28/h9,11-12,14-16,26H,5-8,10,13H2,1-4H3,(H,27,28)