methyl 2-oxidanyl-6-(2-oxidanylideneheptyl)-4-phenylmethoxy-benzoate

Systemtic Name: methyl 2-oxidanyl-6-(2-oxidanylideneheptyl)-4-phenylmethoxy-benzoate Openeye Name: methyl 4-benzyloxy-2-hydroxy-6-(2-oxoheptyl)benzoate CAS Name: 2-hydroxy-6-(2-oxoheptyl)-4-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-6-(2-oxoheptyl)-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-hydroxy-6-(2-ketoheptyl)benzoic acid methyl ester Formula: C22H26O5 MolecularWeight: 370.43884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1=CC(=CC(=C1C(=O)OC)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)CC1=CC(=CC(=C1C(=O)OC)O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26O5/c1-3-4-6-11-18(23)12-17-13-19(14-20(24)21(17)22(25)26-2)27-15-16-9-7-5-8-10-16/h5,7-10,13-14,24H,3-4,6,11-12,15H2,1-2H3