(E)-4-oxidanylidene-4-[2-oxidanyl-3-(8-phenyloctylamino)propyl]peroxy-but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[2-oxidanyl-3-(8-phenyloctylamino)propyl]peroxy-but-2-enoic acid Openeye Name: (E)-4-[2-hydroxy-3-(8-phenyloctylamino)propyl]peroxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-hydroxy-3-(8-phenyloctylamino)propyl]dioxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-hydroxy-3-(8-phenyloctylamino)propyl]peroxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-hydroxy-3-(8-phenyloctylamino)propyl]peroxy-4-keto-but-2-enoic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCNCC(COOC(=O)C=CC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCNCC(COOC(=O)/C=C/C(=O)O)O

InChI

InChI=1S/C21H31NO6/c23-19(17-27-28-21(26)14-13-20(24)25)16-22-15-9-4-2-1-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-14,19,22-23H,1-4,6,9-10,15-17H2,(H,24,25)/b14-13+