(E)-octadec-2-en-4-ynedioic acid

Systemtic Name: (E)-octadec-2-en-4-ynedioic acid Openeye Name: (E)-octadec-2-en-4-ynedioic acid CAS Name: (E)-octadec-2-en-4-ynedioic acid IUPAC Name: (E)-octadec-2-en-4-ynedioic acid Traditional Name: (E)-octadec-2-en-4-ynedioic acid Formula: C18H28O4 MolecularWeight: 308.41252

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCC(=O)O)CCCCCC#CC=CC(=O)O

Isomeric SMILES

C(CCCCCCC(=O)O)CCCCCC#C/C=C/C(=O)O

InChI

InChI=1S/C18H28O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h14,16H,1-9,11,13,15H2,(H,19,20)(H,21,22)/b16-14+