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

Systemtic Name: 8-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Openeye Name: 8-[2-(4-ethoxycarbonyl-1-piperidyl)-2-oxo-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium CAS Name: 8-[2-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylammonium IUPAC Name: 8-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Traditional Name: 8-[2-(4-carbethoxypiperidino)-2-keto-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium Formula: C32H38N2O13S3-2 MolecularWeight: 754.84472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CCOC(=O)C1CCN(CC1)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.CCOC(=O)C1CCN(CC1)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/C26H25NO13S3.C6H15N/c1-2-39-26(29)14-7-9-27(10-8-14)23(28)13-40-19-11-20(41(30,31)32)16-5-6-18-22(43(36,37)38)12-21(42(33,34)35)17-4-3-15(19)24(16)25(17)18;1-4-7(5-2)6-3/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);4-6H2,1-3H3/p-2