3-[6-(dimethylamino)-6-oxidanylidene-hex-1-ynyl]benzoic acid

Systemtic Name: 3-[6-(dimethylamino)-6-oxidanylidene-hex-1-ynyl]benzoic acid Openeye Name: 3-[6-(dimethylamino)-6-oxo-hex-1-ynyl]benzoic acid CAS Name: 3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoic acid IUPAC Name: 3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoic acid Traditional Name: 3-[6-(dimethylamino)-6-keto-hex-1-ynyl]benzoic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCCC#CC1=CC(=CC=C1)C(=O)O

Isomeric SMILES

CN(C)C(=O)CCCC#CC1=CC(=CC=C1)C(=O)O

InChI

InChI=1S/C15H17NO3/c1-16(2)14(17)10-5-3-4-7-12-8-6-9-13(11-12)15(18)19/h6,8-9,11H,3,5,10H2,1-2H3,(H,18,19)