4-oct-1-ynylbenzoic acid

Systemtic Name: 4-oct-1-ynylbenzoic acid Openeye Name: 4-oct-1-ynylbenzoic acid CAS Name: 4-oct-1-ynylbenzoic acid IUPAC Name: 4-oct-1-ynylbenzoic acid Traditional Name: 4-oct-1-ynylbenzoic acid Formula: C15H18O2 MolecularWeight: 230.30222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCC#CC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H18O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-6H2,1H3,(H,16,17)