ethyl 3,5-bis(oxidanyl)benzoate hydrate

Systemtic Name: ethyl 3,5-bis(oxidanyl)benzoate hydrate Openeye Name: ethyl 3,5-dihydroxybenzoate hydrate CAS Name: 3,5-dihydroxybenzoic acid ethyl ester hydrate IUPAC Name: ethyl 3,5-dihydroxybenzoate hydrate Traditional Name: 3,5-dihydroxybenzoic acid ethyl ester hydrate Formula: C18H22O9 MolecularWeight: 382.36188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)O)O.CCOC(=O)C1=CC(=CC(=C1)O)O.O

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)O)O.CCOC(=O)C1=CC(=CC(=C1)O)O.O

InChI

InChI=1S/2C9H10O4.H2O/c2*1-2-13-9(12)6-3-7(10)5-8(11)4-6;/h2*3-5,10-11H,2H2,1H3;1H2