1-bromanyl-4-pentoxy-naphthalene-2-carboxylic acid

Systemtic Name: 1-bromanyl-4-pentoxy-naphthalene-2-carboxylic acid Openeye Name: 1-bromo-4-pentoxy-naphthalene-2-carboxylic acid CAS Name: 1-bromo-4-pentoxy-2-naphthalenecarboxylic acid IUPAC Name: 1-bromo-4-pentoxynaphthalene-2-carboxylic acid Traditional Name: 4-amoxy-1-bromo-2-naphthoic acid Formula: C16H17BrO3 MolecularWeight: 337.20838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C2=CC=CC=C21)Br)C(=O)O

Isomeric SMILES

CCCCCOC1=CC(=C(C2=CC=CC=C21)Br)C(=O)O

InChI

InChI=1S/C16H17BrO3/c1-2-3-6-9-20-14-10-13(16(18)19)15(17)12-8-5-4-7-11(12)14/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19)