[4-[2-azanyl-3,3-bis(oxidanyl)propyl]phenyl] (E)-octadec-9-enoate

Systemtic Name: [4-[2-azanyl-3,3-bis(oxidanyl)propyl]phenyl] (E)-octadec-9-enoate Openeye Name: [4-(2-amino-3,3-dihydroxy-propyl)phenyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-(2-amino-3,3-dihydroxypropyl)phenyl] ester IUPAC Name: [4-(2-amino-3,3-dihydroxypropyl)phenyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [4-(2-amino-3,3-dihydroxy-propyl)phenyl] ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC=C(C=C1)CC(C(O)O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC=C(C=C1)CC(C(O)O)N

InChI

InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)32-24-20-18-23(19-21-24)22-25(28)27(30)31/h9-10,18-21,25,27,30-31H,2-8,11-17,22,28H2,1H3/b10-9+