2-[2-(2-azanylethylamino)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonic acid

Systemtic Name: 2-[2-(2-azanylethylamino)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonic acid Openeye Name: 2-[2-(2-aminoethylamino)-2-oxo-ethoxy]pyrene-1,3,6-trisulfonic acid CAS Name: 2-[2-(2-aminoethylamino)-2-oxoethoxy]pyrene-1,3,6-trisulfonic acid IUPAC Name: 2-[2-(2-aminoethylamino)-2-oxoethoxy]pyrene-1,3,6-trisulfonic acid Traditional Name: 2-[2-(2-aminoethylamino)-2-keto-ethoxy]pyrene-1,3,6-trisulfonic acid Formula: C20H18N2O11S3 MolecularWeight: 558.55872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C(=C2S(=O)(=O)O)OCC(=O)NCCN)S(=O)(=O)O)C=CC4=C(C=CC1=C43)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C3C(=C(C(=C2S(=O)(=O)O)OCC(=O)NCCN)S(=O)(=O)O)C=CC4=C(C=CC1=C43)S(=O)(=O)O

InChI

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