5-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-benzaldehyde; 4-methylbenzenesulfonic acid

Systemtic Name: 5-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-benzaldehyde; 4-methylbenzenesulfonic acid Openeye Name: 5-[2-(tert-butylamino)acetyl]-2-hydroxy-benzaldehyde; 4-methylbenzenesulfonic acid CAS Name: 5-[2-(tert-butylamino)-1-oxoethyl]-2-hydroxybenzaldehyde; 4-methylbenzenesulfonic acid IUPAC Name: 5-[2-(tert-butylamino)acetyl]-2-hydroxybenzaldehyde; 4-methylbenzenesulfonic acid Traditional Name: 5-[2-(tert-butylamino)acetyl]-2-hydroxy-benzaldehyde; tosylic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)NCC(=O)C1=CC(=C(C=C1)O)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)NCC(=O)C1=CC(=C(C=C1)O)C=O

InChI

InChI=1S/C13H17NO3.C7H8O3S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8,14,16H,7H2,1-3H3;2-5H,1H3,(H,8,9,10)