8-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonylamino]pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonylamino]pyrene-1,3,6-trisulfonic acid Openeye Name: 8-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]pyrene-1,3,6-trisulfonic acid CAS Name: 8-[[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]amino]pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]pyrene-1,3,6-trisulfonic acid Traditional Name: 8-(succinimidooxycarbonylamino)pyrene-1,3,6-trisulfonic acid Formula: C21H14N2O13S3 MolecularWeight: 598.53646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)NC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)NC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H14N2O13S3/c24-17-5-6-18(25)23(17)36-21(26)22-13-7-14(37(27,28)29)10-3-4-12-16(39(33,34)35)8-15(38(30,31)32)11-2-1-9(13)19(10)20(11)12/h1-4,7-8H,5-6H2,(H,22,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)