2-pent-4-yn-2-yloxycarbonylbenzoic acid

Systemtic Name: 2-pent-4-yn-2-yloxycarbonylbenzoic acid Openeye Name: 2-(1-methylbut-3-ynoxycarbonyl)benzoic acid CAS Name: 2-[oxo(pent-4-yn-2-yloxy)methyl]benzoic acid IUPAC Name: 2-pent-4-yn-2-yloxycarbonylbenzoic acid Traditional Name: 2-(1-methylbut-3-ynoxycarbonyl)benzoic acid Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O4/c1-3-6-9(2)17-13(16)11-8-5-4-7-10(11)12(14)15/h1,4-5,7-9H,6H2,2H3,(H,14,15)