4-pyren-1-ylcarbonylbenzoic acid

Systemtic Name: 4-pyren-1-ylcarbonylbenzoic acid Openeye Name: 4-(pyrene-1-carbonyl)benzoic acid CAS Name: 4-[oxo(1-pyrenyl)methyl]benzoic acid IUPAC Name: 4-(pyrene-1-carbonyl)benzoic acid Traditional Name: 4-(pyrene-1-carbonyl)benzoic acid Formula: C24H14O3 MolecularWeight: 350.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)C5=CC=C(C=C5)C(=O)O

InChI

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