4-[[8-oxidanyl-3,6-bis[(4-oxidanyl-4-oxidanylidene-butyl)sulfamoyl]pyren-1-yl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[8-oxidanyl-3,6-bis[(4-oxidanyl-4-oxidanylidene-butyl)sulfamoyl]pyren-1-yl]sulfonylamino]butanoic acid Openeye Name: 4-[[8-hydroxy-3,6-bis[(4-hydroxy-4-oxo-butyl)sulfamoyl]pyren-1-yl]sulfonylamino]butanoic acid CAS Name: 4-[[8-hydroxy-3,6-bis[(4-hydroxy-4-oxobutyl)sulfamoyl]-1-pyrenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[8-hydroxy-3,6-bis[(4-hydroxy-4-oxobutyl)sulfamoyl]pyren-1-yl]sulfonylamino]butanoic acid Traditional Name: 4-[[8-hydroxy-3,6-bis[(4-hydroxy-4-keto-butyl)sulfamoyl]pyren-1-yl]sulfonylamino]butyric acid Formula: C28H31N3O13S3 MolecularWeight: 713.75304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2S(=O)(=O)NCCCC(=O)O)S(=O)(=O)NCCCC(=O)O)C=CC4=C(C=C(C1=C43)O)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)NCCCC(=O)O)S(=O)(=O)NCCCC(=O)O)C=CC4=C(C=C(C1=C43)O)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C28H31N3O13S3/c32-20-14-21(45(39,40)29-11-1-4-24(33)34)17-9-10-19-23(47(43,44)31-13-3-6-26(37)38)15-22(18-8-7-16(20)27(17)28(18)19)46(41,42)30-12-2-5-25(35)36/h7-10,14-15,29-32H,1-6,11-13H2,(H,33,34)(H,35,36)(H,37,38)