3-chloranyl-2-pyren-1-ylcarbonyl-benzoate

Systemtic Name: 3-chloranyl-2-pyren-1-ylcarbonyl-benzoate Openeye Name: 3-chloro-2-(pyrene-1-carbonyl)benzoate CAS Name: 3-chloro-2-[oxo(1-pyrenyl)methyl]benzoate IUPAC Name: 3-chloro-2-(pyrene-1-carbonyl)benzoate Traditional Name: 3-chloro-2-(pyrene-1-carbonyl)benzoate Formula: C24H12ClO3- MolecularWeight: 383.80328

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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=C(C=CC=C5Cl)C(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)C5=C(C=CC=C5Cl)C(=O)[O-]

InChI

InChI=1S/C24H13ClO3/c25-19-6-2-5-18(24(27)28)22(19)23(26)17-12-10-15-8-7-13-3-1-4-14-9-11-16(17)21(15)20(13)14/h1-12H,(H,27,28)/p-1