2-hex-2-ynylbenzene-1,3-dicarboxylic acid

Systemtic Name: 2-hex-2-ynylbenzene-1,3-dicarboxylic acid Openeye Name: 2-hex-2-ynylbenzene-1,3-dicarboxylic acid CAS Name: 2-hex-2-ynylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-hex-2-ynylbenzene-1,3-dicarboxylic acid Traditional Name: 2-hex-2-ynylisophthalic acid Formula: C14H14O4 MolecularWeight: 246.25856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC1=C(C=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCC#CCC1=C(C=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C14H14O4/c1-2-3-4-5-7-10-11(13(15)16)8-6-9-12(10)14(17)18/h6,8-9H,2-3,7H2,1H3,(H,15,16)(H,17,18)