4-ethoxy-2-oxidanyl-benzoic acid; (phenylmethyl) 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-3-carboxylate

Systemtic Name: 4-ethoxy-2-oxidanyl-benzoic acid; (phenylmethyl) 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-3-carboxylate Openeye Name: benzyl 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-3-carboxylate; 4-ethoxy-2-hydroxy-benzoic acid CAS Name: 4-ethoxy-2-hydroxybenzoic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-3-carboxylate; 4-ethoxy-2-hydroxybenzoic acid Traditional Name: 4-ethoxy-2-hydroxy-benzoic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-3-carboxylic acid benzyl ester Formula: C23H20O7 MolecularWeight: 408.4007

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)O)O.C1=CC=C(C=C1)COC(=O)C2=C3C=CC(=C2)O3

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)O)O.C1=CC=C(C=C1)COC(=O)C2=C3C=CC(=C2)O3

InChI

InChI=1S/C14H10O3.C9H10O4/c15-14(12-8-11-6-7-13(12)17-11)16-9-10-4-2-1-3-5-10;1-2-13-6-3-4-7(9(11)12)8(10)5-6/h1-8H,9H2;3-5,10H,2H2,1H3,(H,11,12)