8-[2-(4-carboxypiperidin-1-yl)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate; triethylazanium

Systemtic Name: 8-[2-(4-carboxypiperidin-1-yl)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Openeye Name: 8-[2-(4-carboxy-1-piperidyl)-2-oxo-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium CAS Name: 8-[2-(4-carboxy-1-piperidinyl)-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylammonium IUPAC Name: 8-[2-(4-carboxypiperidin-1-yl)-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Traditional Name: 8-[2-(4-carboxypiperidino)-2-keto-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium Formula: C30H34N2O13S3-2 MolecularWeight: 726.79156

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.C1CN(CCC1C(=O)O)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-]

Isomeric SMILES

CC[NH+](CC)CC.C1CN(CCC1C(=O)O)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-]

InChI

InChI=1S/C24H21NO13S3.C6H15N/c26-21(25-7-5-12(6-8-25)24(27)28)11-38-17-9-18(39(29,30)31)14-3-4-16-20(41(35,36)37)10-19(40(32,33)34)15-2-1-13(17)22(14)23(15)16;1-4-7(5-2)6-3/h1-4,9-10,12H,5-8,11H2,(H,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);4-6H2,1-3H3/p-2