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

Systemtic Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] ethanoate Openeye Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] acetate CAS Name: acetic acid [3,6,8-tris(dimethylsulfamoyl)-1-pyrenyl] ester IUPAC Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] acetate Traditional Name: acetic acid [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] ester Formula: C24H27N3O8S3 MolecularWeight: 581.68148

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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)N(C)C)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O8S3/c1-14(28)35-19-12-20(36(29,30)25(2)3)16-10-11-18-22(38(33,34)27(6)7)13-21(37(31,32)26(4)5)17-9-8-15(19)23(16)24(17)18/h8-13H,1-7H3