trisodium 8-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethylamino]pyrene-1,3,6-trisulfonate

Systemtic Name: trisodium 8-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethylamino]pyrene-1,3,6-trisulfonate Openeye Name: trisodium 8-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethylamino]pyrene-1,3,6-trisulfonate CAS Name: trisodium 8-[2-[2-(2-methyl-1-oxoprop-2-enoxy)ethoxy]ethylamino]pyrene-1,3,6-trisulfonate IUPAC Name: trisodium 8-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethylamino]pyrene-1,3,6-trisulfonate Traditional Name: trisodium 8-[2-(2-methacryloyloxyethoxy)ethylamino]pyrene-1,3,6-trisulfonate Formula: C24H20NNa3O12S3 MolecularWeight: 679.57941

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCOCCNC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=C)C(=O)OCCOCCNC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H23NO12S3.3Na/c1-13(2)24(26)37-10-9-36-8-7-25-18-11-19(38(27,28)29)15-5-6-17-21(40(33,34)35)12-20(39(30,31)32)16-4-3-14(18)22(15)23(16)17;;;/h3-6,11-12,25H,1,7-10H2,2H3,(H,27,28,29)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3