2-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptanoic acid

Systemtic Name: 2-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptanoic acid Openeye Name: 2-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)heptanoic acid CAS Name: 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoic acid IUPAC Name: 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoic acid Traditional Name: 2-(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:

CCCCCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C)C(=O)O

InChI

InChI=1S/C18H28O3/c1-6-7-8-9-14(17(20)21)13-10-12(2)16(19)15(11-13)18(3,4)5/h10-11,14,19H,6-9H2,1-5H3,(H,20,21)