4-(4-icos-1-ynylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-icos-1-ynylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-icos-1-ynylphenyl)-4-oxo-butanoic acid CAS Name: 4-(4-eicos-1-ynylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-icos-1-ynylphenyl)-4-oxobutanoic acid Traditional Name: 4-(4-eicos-1-ynylphenyl)-4-keto-butyric acid Formula: C30H46O3 MolecularWeight: 454.68444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC#CC1=CC=C(C=C1)C(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC#CC1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C30H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-23-28(24-22-27)29(31)25-26-30(32)33/h21-24H,2-18,25-26H2,1H3,(H,32,33)