2-bromanyl-4-methoxy-3-pentoxy-benzoic acid

Systemtic Name: 2-bromanyl-4-methoxy-3-pentoxy-benzoic acid Openeye Name: 2-bromo-4-methoxy-3-pentoxy-benzoic acid CAS Name: 2-bromo-4-methoxy-3-pentoxybenzoic acid IUPAC Name: 2-bromo-4-methoxy-3-pentoxybenzoic acid Traditional Name: 3-amoxy-2-bromo-4-methoxy-benzoic acid Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1Br)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1Br)C(=O)O)OC

InChI

InChI=1S/C13H17BrO4/c1-3-4-5-8-18-12-10(17-2)7-6-9(11(12)14)13(15)16/h6-7H,3-5,8H2,1-2H3,(H,15,16)