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

Systemtic Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] butanoate Openeye Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] butanoate CAS Name: butanoic acid [3,6,8-tris(dimethylsulfamoyl)-1-pyrenyl] ester IUPAC Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] butanoate Traditional Name: butyric acid [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] ester Formula: C26H31N3O8S3 MolecularWeight: 609.73464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C26H31N3O8S3/c1-8-9-24(30)37-20-14-21(38(31,32)27(2)3)17-12-13-19-23(40(35,36)29(6)7)15-22(39(33,34)28(4)5)18-11-10-16(20)25(17)26(18)19/h10-15H,8-9H2,1-7H3