6-phenyl-2-prop-2-ynyl-hexanoic acid

Systemtic Name: 6-phenyl-2-prop-2-ynyl-hexanoic acid Openeye Name: 6-phenyl-2-prop-2-ynyl-hexanoic acid CAS Name: 6-phenyl-2-prop-2-ynylhexanoic acid IUPAC Name: 6-phenyl-2-prop-2-ynylhexanoic acid Traditional Name: 2-(4-phenylbutyl)pent-4-ynoic acid Formula: C15H18O2 MolecularWeight: 230.30222

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CCCCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C#CCC(CCCCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H18O2/c1-2-8-14(15(16)17)12-7-6-11-13-9-4-3-5-10-13/h1,3-5,9-10,14H,6-8,11-12H2,(H,16,17)