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

Systemtic Name: 8-[2-(3-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Openeye Name: 8-[2-(3-carboxypyrrolidin-1-yl)-2-oxo-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium CAS Name: 8-[2-(3-carboxy-1-pyrrolidinyl)-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylammonium IUPAC Name: 8-[2-(3-carboxypyrrolidin-1-yl)-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Traditional Name: 8-[2-(3-carboxypyrrolidino)-2-keto-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium Formula: C29H32N2O13S3-2 MolecularWeight: 712.76498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.C1CN(CC1C(=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(CC1C(=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/C23H19NO13S3.C6H15N/c25-20(24-6-5-11(9-24)23(26)27)10-37-16-7-17(38(28,29)30)13-3-4-15-19(40(34,35)36)8-18(39(31,32)33)14-2-1-12(16)21(13)22(14)15;1-4-7(5-2)6-3/h1-4,7-8,11H,5-6,9-10H2,(H,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);4-6H2,1-3H3/p-2