2-[(3-tridec-1-ynylphenyl)methylidene]propanedioic acid

Systemtic Name: 2-[(3-tridec-1-ynylphenyl)methylidene]propanedioic acid Openeye Name: 2-[(3-tridec-1-ynylphenyl)methylene]propanedioic acid CAS Name: 2-[(3-tridec-1-ynylphenyl)methylidene]propanedioic acid IUPAC Name: 2-[(3-tridec-1-ynylphenyl)methylidene]propanedioic acid Traditional Name: 2-(3-tridec-1-ynylbenzylidene)malonic acid Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-15-13-16-20(17-19)18-21(22(24)25)23(26)27/h13,15-18H,2-11H2,1H3,(H,24,25)(H,26,27)