4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]benzaldehyde

Systemtic Name: 4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]benzaldehyde Openeye Name: 4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]benzaldehyde CAS Name: 4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]benzaldehyde IUPAC Name: 4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]benzaldehyde Traditional Name: 4-(3-amino-4-hydroxy-3-methylol-butyl)benzaldehyde Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CO)(CO)N)C=O

Isomeric SMILES

C1=CC(=CC=C1CCC(CO)(CO)N)C=O

InChI

InChI=1S/C12H17NO3/c13-12(8-15,9-16)6-5-10-1-3-11(7-14)4-2-10/h1-4,7,15-16H,5-6,8-9,13H2