4,5-dimethoxy-2-pent-1-ynyl-benzoic acid

Systemtic Name: 4,5-dimethoxy-2-pent-1-ynyl-benzoic acid Openeye Name: 4,5-dimethoxy-2-pent-1-ynyl-benzoic acid CAS Name: 4,5-dimethoxy-2-pent-1-ynylbenzoic acid IUPAC Name: 4,5-dimethoxy-2-pent-1-ynylbenzoic acid Traditional Name: 4,5-dimethoxy-2-pent-1-ynyl-benzoic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=C(C=C1C(=O)O)OC)OC

Isomeric SMILES

CCCC#CC1=CC(=C(C=C1C(=O)O)OC)OC

InChI

InChI=1S/C14H16O4/c1-4-5-6-7-10-8-12(17-2)13(18-3)9-11(10)14(15)16/h8-9H,4-5H2,1-3H3,(H,15,16)