2-oxidanylbenzoic acid; 3-tetradecanoyl-4-oxa-3-azabicyclo[3.2.2]nona-1(7),5,8-trien-2-one

Systemtic Name: 2-oxidanylbenzoic acid; 3-tetradecanoyl-4-oxa-3-azabicyclo[3.2.2]nona-1(7),5,8-trien-2-one Openeye Name: 2-hydroxybenzoic acid; 3-tetradecanoyl-4-oxa-3-azabicyclo[3.2.2]nona-1(7),5,8-trien-2-one CAS Name: 2-hydroxybenzoic acid; 3-(1-oxotetradecyl)-4-oxa-3-azabicyclo[3.2.2]nona-1(7),5,8-trien-2-one IUPAC Name: 2-hydroxybenzoic acid; 3-tetradecanoyl-4-oxa-3-azabicyclo[3.2.2]nona-1(7),5,8-trien-2-one Traditional Name: salicylic acid; 3-tetradecanoyl-4-oxa-3-azabicyclo[3.2.2]nona-1(7),5,8-trien-2-one Formula: C28H37NO6 MolecularWeight: 483.59648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1C(=O)C2=CC=C(O1)C=C2.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1C(=O)C2=CC=C(O1)C=C2.C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C21H31NO3.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(23)22-21(24)18-14-16-19(25-22)17-15-18;8-6-4-2-1-3-5(6)7(9)10/h14-17H,2-13H2,1H3;1-4,8H,(H,9,10)