[(E)-octadec-9-enoyl] 3-azanyl-2-oxidanyl-benzoate

Systemtic Name: [(E)-octadec-9-enoyl] 3-azanyl-2-oxidanyl-benzoate Openeye Name: [(E)-octadec-9-enoyl] 3-amino-2-hydroxy-benzoate CAS Name: 3-amino-2-hydroxybenzoic acid [(E)-1-oxooctadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enoyl] 3-amino-2-hydroxybenzoate Traditional Name: 3-amino-2-hydroxy-benzoic acid [(E)-octadec-9-enoyl] ester Formula: C25H39NO4 MolecularWeight: 417.58146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)30-25(29)21-18-17-19-22(26)24(21)28/h9-10,17-19,28H,2-8,11-16,20,26H2,1H3/b10-9+