2-[3-(3-oct-1-ynylphenoxy)propyl]propanedioic acid

Systemtic Name: 2-[3-(3-oct-1-ynylphenoxy)propyl]propanedioic acid Openeye Name: 2-[3-(3-oct-1-ynylphenoxy)propyl]propanedioic acid CAS Name: 2-[3-(3-oct-1-ynylphenoxy)propyl]propanedioic acid IUPAC Name: 2-[3-(3-oct-1-ynylphenoxy)propyl]propanedioic acid Traditional Name: 2-[3-(3-oct-1-ynylphenoxy)propyl]malonic acid Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CC=C1)OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC#CC1=CC(=CC=C1)OCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C20H26O5/c1-2-3-4-5-6-7-10-16-11-8-12-17(15-16)25-14-9-13-18(19(21)22)20(23)24/h8,11-12,15,18H,2-6,9,13-14H2,1H3,(H,21,22)(H,23,24)