2-acetyloxybenzoic acid; (E)-octadec-2-enamide

Systemtic Name: 2-acetyloxybenzoic acid; (E)-octadec-2-enamide Openeye Name: 2-acetoxybenzoic acid; (E)-octadec-2-enamide CAS Name: 2-acetyloxybenzoic acid; (E)-2-octadecenamide IUPAC Name: 2-acetyloxybenzoic acid; (E)-octadec-2-enamide Traditional Name: 2-acetoxybenzoic acid; (E)-octadec-2-enamide Formula: C27H43NO5 MolecularWeight: 461.63402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)N.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)N.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C18H35NO.C9H8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h16-17H,2-15H2,1H3,(H2,19,20);2-5H,1H3,(H,11,12)/b17-16+;