2-[4-(cyclohepten-1-yl)phenoxy]octanoic acid

Systemtic Name: 2-[4-(cyclohepten-1-yl)phenoxy]octanoic acid Openeye Name: 2-[4-(cyclohepten-1-yl)phenoxy]octanoic acid CAS Name: 2-[4-(1-cycloheptenyl)phenoxy]octanoic acid IUPAC Name: 2-[4-(cyclohepten-1-yl)phenoxy]octanoic acid Traditional Name: 2-[4-(cyclohepten-1-yl)phenoxy]caprylic acid Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)OC1=CC=C(C=C1)C2=CCCCCC2

Isomeric SMILES

CCCCCCC(C(=O)O)OC1=CC=C(C=C1)C2=CCCCCC2

InChI

InChI=1S/C21H30O3/c1-2-3-4-9-12-20(21(22)23)24-19-15-13-18(14-16-19)17-10-7-5-6-8-11-17/h10,13-16,20H,2-9,11-12H2,1H3,(H,22,23)