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

Systemtic Name: 3-dodecyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-oxidanyl-benzoic acid Openeye Name: 3-dodecyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxy-benzoic acid CAS Name: 3-dodecyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxybenzoic acid IUPAC Name: 3-dodecyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxybenzoic acid Traditional Name: 4-ethoxy-2-hydroxy-benzoic acid; 3-lauryl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C27H38O5 MolecularWeight: 442.58762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C2C=CC(=C1)O2.CCOC1=CC(=C(C=C1)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C2C=CC(=C1)O2.CCOC1=CC(=C(C=C1)C(=O)O)O

InChI

InChI=1S/C18H28O.C9H10O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17-13-14-18(16)19-17;1-2-13-6-3-4-7(9(11)12)8(10)5-6/h13-15H,2-12H2,1H3;3-5,10H,2H2,1H3,(H,11,12)