6-bromanyl-7-oxidanyl-7-phenyl-heptanoic acid

Systemtic Name: 6-bromanyl-7-oxidanyl-7-phenyl-heptanoic acid Openeye Name: 6-bromo-7-oxidanyl-7-phenyl-heptanoic acid CAS Name: 6-bromo-7-oxidanyl-7-phenylheptanoic acid IUPAC Name: 6-bromo-7-oxidanyl-7-phenylheptanoic acid Traditional Name: 6-bromo-7-oxidanyl-7-phenyl-enanthic acid Formula: C13H17BrO3 MolecularWeight: 302.176011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCCCC(=O)O)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(CCCCC(=O)O)Br)[17OH]

InChI

InChI=1S/C13H17BrO3/c14-11(8-4-5-9-12(15)16)13(17)10-6-2-1-3-7-10/h1-3,6-7,11,13,17H,4-5,8-9H2,(H,15,16)/i17+1