2-bromanyl-1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-bromanyl-1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-bromo-1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-bromo-1-octan-2-yloxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-bromo-1-octan-2-yloxy-4-phenylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-bromo-1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C21H27BrO3 MolecularWeight: 407.34128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1(C=CC(C=C1Br)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC(C)OC1(C=CC(C=C1Br)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H27BrO3/c1-3-4-5-7-10-16(2)25-21(20(23)24)14-13-18(15-19(21)22)17-11-8-6-9-12-17/h6,8-9,11-16,18H,3-5,7,10H2,1-2H3,(H,23,24)