4-(1-methoxy-1-oxidanylidene-pent-4-yn-2-yl)-3-methyl-benzoic acid

Systemtic Name: 4-(1-methoxy-1-oxidanylidene-pent-4-yn-2-yl)-3-methyl-benzoic acid Openeye Name: 4-(1-methoxycarbonylbut-3-ynyl)-3-methyl-benzoic acid CAS Name: 4-(1-methoxy-1-oxopent-4-yn-2-yl)-3-methylbenzoic acid IUPAC Name: 4-(1-methoxy-1-oxopent-4-yn-2-yl)-3-methylbenzoic acid Traditional Name: 4-(1-carbomethoxybut-3-ynyl)-3-methyl-benzoic acid Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4/c1-4-5-12(14(17)18-3)11-7-6-10(13(15)16)8-9(11)2/h1,6-8,12H,5H2,2-3H3,(H,15,16)