8-[2-[methyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate; triethylazanium

Systemtic Name: 8-[2-[methyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Openeye Name: 8-[2-[(4-hydroxy-4-oxo-butyl)-methyl-amino]-2-oxo-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium CAS Name: 8-[2-[(4-hydroxy-4-oxobutyl)-methylamino]-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylammonium IUPAC Name: 8-[2-[(4-hydroxy-4-oxobutyl)-methylamino]-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Traditional Name: 8-[2-[(4-hydroxy-4-keto-butyl)-methyl-amino]-2-keto-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium Formula: C29H34N2O13S3-2 MolecularWeight: 714.78086

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CN(CCCC(=O)O)C(=O)COC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC.CN(CCCC(=O)O)C(=O)COC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C23H21NO13S3.C6H15N/c1-24(8-2-3-21(26)27)20(25)11-37-16-9-17(38(28,29)30)13-6-7-15-19(40(34,35)36)10-18(39(31,32)33)14-5-4-12(16)22(13)23(14)15;1-4-7(5-2)6-3/h4-7,9-10H,2-3,8,11H2,1H3,(H,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);4-6H2,1-3H3/p-2