2-oct-5-yn-4-yloxycarbonylbenzoic acid

Systemtic Name: 2-oct-5-yn-4-yloxycarbonylbenzoic acid Openeye Name: 2-(1-propylpent-2-ynoxycarbonyl)benzoic acid CAS Name: 2-[oct-5-yn-4-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-oct-5-yn-4-yloxycarbonylbenzoic acid Traditional Name: 2-(1-propylpent-2-ynoxycarbonyl)benzoic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#CCC)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCC(C#CCC)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H18O4/c1-3-5-9-12(8-4-2)20-16(19)14-11-7-6-10-13(14)15(17)18/h6-7,10-12H,3-4,8H2,1-2H3,(H,17,18)