3,5,6-tris(prop-2-ynyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tris(prop-2-ynyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris(prop-2-ynyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris(prop-2-ynyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris(prop-2-ynyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tripropargyltrimellitic acid Formula: C18H12O6 MolecularWeight: 324.28428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12O6/c1-4-7-10-11(8-5-2)14(17(21)22)15(18(23)24)12(9-6-3)13(10)16(19)20/h1-3H,7-9H2,(H,19,20)(H,21,22)(H,23,24)