3-icosa-1,3-diynylbenzoic acid

Systemtic Name: 3-icosa-1,3-diynylbenzoic acid Openeye Name: 3-icosa-1,3-diynylbenzoic acid CAS Name: 3-eicosa-1,3-diynylbenzoic acid IUPAC Name: 3-icosa-1,3-diynylbenzoic acid Traditional Name: 3-eicosa-1,3-diynylbenzoic acid Formula: C27H38O2 MolecularWeight: 394.58942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC#CC1=CC(=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC#CC1=CC(=CC=C1)C(=O)O

InChI

InChI=1S/C27H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-23-26(24-25)27(28)29/h20,22-24H,2-16H2,1H3,(H,28,29)