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4-tert-butylbenzoic acid; 1-(2-oxidanylpropylamino)propan-2-ol

4-tert-butylbenzoic acid; 1-(2-oxidanylpropylamino)propan-2-ol

Systemtic Name:4-tert-butylbenzoic acid; 1-(2-oxidanylpropylamino)propan-2-ol
Openeye Name:4-tert-butylbenzoic acid; 1-(2-hydroxypropylamino)propan-2-ol
CAS Name:4-tert-butylbenzoic acid; 1-(2-hydroxypropylamino)-2-propanol
IUPAC Name:4-tert-butylbenzoic acid; 1-(2-hydroxypropylamino)propan-2-ol
Traditional Name:4-tert-butylbenzoic acid; 1-(2-hydroxypropylamino)propan-2-ol
Formula: C17H29NO4
MolecularWeight: 311.41646
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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC(C)O)O.CC(C)(C)C1=CC=C(C=C1)C(=O)O


Isomeric SMILES

CC(CNCC(C)O)O.CC(C)(C)C1=CC=C(C=C1)C(=O)O


InChI

InChI=1S/C11H14O2.C6H15NO2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-5(8)3-7-4-6(2)9/h4-7H,1-3H3,(H,12,13);5-9H,3-4H2,1-2H3


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