(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enal; sulfuric acid

Systemtic Name: (E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enal; sulfuric acid Openeye Name: (E,2S,3R)-2-amino-3-hydroxy-octadec-4-enal; sulfuric acid CAS Name: (E,2S,3R)-2-amino-3-hydroxy-4-octadecenal; sulfuric acid IUPAC Name: (E,2S,3R)-2-amino-3-hydroxyoctadec-4-enal; sulfuric acid Traditional Name: (E,2S,3R)-2-amino-3-hydroxy-octadec-4-enal; sulfuric acid Formula: C36H72N2O8S MolecularWeight: 693.03048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C=O)N)O.CCCCCCCCCCCCCC=CC(C(C=O)N)O.OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](N)C=O.CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](N)C=O.OS(=O)(=O)O

InChI

InChI=1S/2C18H35NO2.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;1-5(2,3)4/h2*14-18,21H,2-13,19H2,1H3;(H2,1,2,3,4)/b2*15-14+;/t2*17-,18-;/m11./s1