3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoic acid; 1,2-diethoxybutane

Systemtic Name: 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoic acid; 1,2-diethoxybutane Openeye Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propanoic acid; 1,2-diethoxybutane CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid; 1,2-diethoxybutane IUPAC Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid; 1,2-diethoxybutane Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propionic acid; 1,2-diethoxybutane Formula: C36H58O8 MolecularWeight: 618.84092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC)OCC.CC1=C(C(=CC(=C1)CCC(=O)O)C(C)(C)C)O.CC1=C(C(=CC(=C1)CCC(=O)O)C(C)(C)C)O

Isomeric SMILES

CCC(COCC)OCC.CC1=C(C(=CC(=C1)CCC(=O)O)C(C)(C)C)O.CC1=C(C(=CC(=C1)CCC(=O)O)C(C)(C)C)O

InChI

InChI=1S/2C14H20O3.C8H18O2/c2*1-9-7-10(5-6-12(15)16)8-11(13(9)17)14(2,3)4;1-4-8(10-6-3)7-9-5-2/h2*7-8,17H,5-6H2,1-4H3,(H,15,16);8H,4-7H2,1-3H3