8-[2-(2-azanylethylamino)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate

Systemtic Name: 8-[2-(2-azanylethylamino)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate Openeye Name: 8-[2-(2-aminoethylamino)-2-oxo-ethoxy]pyrene-1,3,6-trisulfonate CAS Name: 8-[2-(2-aminoethylamino)-2-oxoethoxy]pyrene-1,3,6-trisulfonate IUPAC Name: 8-[2-(2-aminoethylamino)-2-oxoethoxy]pyrene-1,3,6-trisulfonate Traditional Name: 8-[2-(2-aminoethylamino)-2-keto-ethoxy]pyrene-1,3,6-trisulfonate Formula: C20H15N2O11S3-3 MolecularWeight: 555.5349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)OCC(=O)NCCN)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)OCC(=O)NCCN)S(=O)(=O)[O-]

InChI

InChI=1S/C20H18N2O11S3/c21-5-6-22-18(23)9-33-14-7-15(34(24,25)26)11-3-4-13-17(36(30,31)32)8-16(35(27,28)29)12-2-1-10(14)19(11)20(12)13/h1-4,7-8H,5-6,9,21H2,(H,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)/p-3