2-[3,6,8-tris(chloranyl)pyren-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[3,6,8-tris(chloranyl)pyren-1-yl]carbonylbenzoic acid Openeye Name: 2-(3,6,8-trichloropyrene-1-carbonyl)benzoic acid CAS Name: 2-[oxo-(3,6,8-trichloro-1-pyrenyl)methyl]benzoic acid IUPAC Name: 2-(3,6,8-trichloropyrene-1-carbonyl)benzoic acid Traditional Name: 2-(3,6,8-trichloropyrene-1-carbonyl)benzoic acid Formula: C24H11Cl3O3 MolecularWeight: 453.70134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C24H11Cl3O3/c25-18-9-17(23(28)12-3-1-2-4-13(12)24(29)30)11-5-6-15-19(26)10-20(27)16-8-7-14(18)21(11)22(15)16/h1-10H,(H,29,30)