8-[2-(3-azanylpiperidin-1-yl)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-[2-(3-azanylpiperidin-1-yl)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonic acid Openeye Name: 8-[2-(3-amino-1-piperidyl)-2-oxo-ethoxy]pyrene-1,3,6-trisulfonic acid CAS Name: 8-[2-(3-amino-1-piperidinyl)-2-oxoethoxy]pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-[2-(3-aminopiperidin-1-yl)-2-oxoethoxy]pyrene-1,3,6-trisulfonic acid Traditional Name: 8-[2-(3-aminopiperidino)-2-keto-ethoxy]pyrene-1,3,6-trisulfonic acid Formula: C23H22N2O11S3 MolecularWeight: 598.62258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C23H22N2O11S3/c24-12-2-1-7-25(10-12)21(26)11-36-17-8-18(37(27,28)29)14-5-6-16-20(39(33,34)35)9-19(38(30,31)32)15-4-3-13(17)22(14)23(15)16/h3-6,8-9,12H,1-2,7,10-11,24H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)