butyl 3,5-bis(oxidanyl)benzoate hydrate

Systemtic Name: butyl 3,5-bis(oxidanyl)benzoate hydrate Openeye Name: butyl 3,5-dihydroxybenzoate hydrate CAS Name: 3,5-dihydroxybenzoic acid butyl ester hydrate IUPAC Name: butyl 3,5-dihydroxybenzoate hydrate Traditional Name: 3,5-dihydroxybenzoic acid butyl ester hydrate Formula: C22H30O9 MolecularWeight: 438.4682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC(=C1)O)O.CCCCOC(=O)C1=CC(=CC(=C1)O)O.O

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC(=C1)O)O.CCCCOC(=O)C1=CC(=CC(=C1)O)O.O

InChI

InChI=1S/2C11H14O4.H2O/c2*1-2-3-4-15-11(14)8-5-9(12)7-10(13)6-8;/h2*5-7,12-13H,2-4H2,1H3;1H2