8-[4-(2-methylprop-2-enoyloxy)butylamino]pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-[4-(2-methylprop-2-enoyloxy)butylamino]pyrene-1,3,6-trisulfonic acid Openeye Name: 8-[4-(2-methylprop-2-enoyloxy)butylamino]pyrene-1,3,6-trisulfonic acid CAS Name: 8-[4-(2-methyl-1-oxoprop-2-enoxy)butylamino]pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-[4-(2-methylprop-2-enoyloxy)butylamino]pyrene-1,3,6-trisulfonic acid Traditional Name: 8-(4-methacryloyloxybutylamino)pyrene-1,3,6-trisulfonic acid Formula: C24H23NO11S3 MolecularWeight: 597.63452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCCCNC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=C)C(=O)OCCCCNC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H23NO11S3/c1-13(2)24(26)36-10-4-3-9-25-18-11-19(37(27,28)29)15-7-8-17-21(39(33,34)35)12-20(38(30,31)32)16-6-5-14(18)22(15)23(16)17/h5-8,11-12,25H,1,3-4,9-10H2,2H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)