4-ethoxy-2-oxidanyl-benzoic acid; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: 4-ethoxy-2-oxidanyl-benzoic acid; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: 4-ethoxy-2-hydroxy-benzoic acid; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 4-ethoxy-2-hydroxybenzoic acid; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 4-ethoxy-2-hydroxybenzoic acid; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 4-ethoxy-2-hydroxy-benzoic acid; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C23H22O5 MolecularWeight: 378.41778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)O)O.C1=CC=C(C=C1)CCC2=C3C=CC(=C2)O3

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)O)O.C1=CC=C(C=C1)CCC2=C3C=CC(=C2)O3

InChI

InChI=1S/C14H12O.C9H10O4/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14(12)15-13;1-2-13-6-3-4-7(9(11)12)8(10)5-6/h1-5,8-10H,6-7H2;3-5,10H,2H2,1H3,(H,11,12)