(4-methoxyphenyl)-[1,6,9-tris(chloranyl)-3-oxidanyl-8-oxidanylidene-pyren-4-ylidene]azanium

Systemtic Name: (4-methoxyphenyl)-[1,6,9-tris(chloranyl)-3-oxidanyl-8-oxidanylidene-pyren-4-ylidene]azanium Openeye Name: (4-methoxyphenyl)-(1,6,9-trichloro-3-hydroxy-8-oxo-pyren-4-ylidene)ammonium CAS Name: (4-methoxyphenyl)-(1,6,9-trichloro-3-hydroxy-8-oxo-4-pyrenylidene)ammonium IUPAC Name: (4-methoxyphenyl)-(1,6,9-trichloro-3-hydroxy-8-oxopyren-4-ylidene)azanium Traditional Name: (4-methoxyphenyl)-(1,6,9-trichloro-3-hydroxy-8-keto-pyren-4-ylidene)ammonium Formula: C23H13Cl3NO3+ MolecularWeight: 457.71322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[NH+]=C2C=C3C(=CC(=O)C4=C(C=C5C(=CC(=C2C5=C34)O)Cl)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[NH+]=C2C=C3C(=CC(=O)C4=C(C=C5C(=CC(=C2C5=C34)O)Cl)Cl)Cl

InChI

InChI=1S/C23H12Cl3NO3/c1-30-11-4-2-10(3-5-11)27-17-7-13-15(25)8-18(28)22-16(26)6-12-14(24)9-19(29)23(17)21(12)20(13)22/h2-9,29H,1H3/p+1