[3,6,8-tris(chloranylsulfonyl)pyren-1-yl] ethanoate

Systemtic Name: [3,6,8-tris(chloranylsulfonyl)pyren-1-yl] ethanoate Openeye Name: [3,6,8-tris(chlorosulfonyl)pyren-1-yl] acetate CAS Name: acetic acid [3,6,8-tris(chlorosulfonyl)-1-pyrenyl] ester IUPAC Name: [3,6,8-tris(chlorosulfonyl)pyren-1-yl] acetate Traditional Name: acetic acid [3,6,8-tris(chlorosulfonyl)pyren-1-yl] ester Formula: C18H9Cl3O8S3 MolecularWeight: 555.81326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)Cl)S(=O)(=O)Cl)S(=O)(=O)Cl

Isomeric SMILES

CC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)Cl)S(=O)(=O)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C18H9Cl3O8S3/c1-8(22)29-13-6-14(30(19,23)24)10-4-5-12-16(32(21,27)28)7-15(31(20,25)26)11-3-2-9(13)17(10)18(11)12/h2-7H,1H3