2-pyren-1-ylcarbonylbenzoic acid

Systemtic Name: 2-pyren-1-ylcarbonylbenzoic acid Openeye Name: 2-(pyrene-1-carbonyl)benzoic acid CAS Name: 2-[oxo(1-pyrenyl)methyl]benzoic acid IUPAC Name: 2-(pyrene-1-carbonyl)benzoic acid Traditional Name: 2-(pyrene-1-carbonyl)benzoic acid Formula: C24H14O3 MolecularWeight: 350.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C(=O)O

InChI

InChI=1S/C24H14O3/c25-23(18-6-1-2-7-20(18)24(26)27)19-13-11-16-9-8-14-4-3-5-15-10-12-17(19)22(16)21(14)15/h1-13H,(H,26,27)