7-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptanoic acid

Systemtic Name: 7-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptanoic acid Openeye Name: 7-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)heptanoic acid CAS Name: 7-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoic acid IUPAC Name: 7-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoic acid Traditional Name: 7-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)enanthic acid Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCCCCCC(=O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCCCCCC(=O)O)C(C)(C)C)O

InChI

InChI=1S/C18H28O3/c1-13-11-14(9-7-5-6-8-10-16(19)20)12-15(17(13)21)18(2,3)4/h11-12,21H,5-10H2,1-4H3,(H,19,20)