1-[2-(3,6,8-trisulfopyren-1-yl)oxyethanoyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[2-(3,6,8-trisulfopyren-1-yl)oxyethanoyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[1-oxo-2-[(3,6,8-trisulfo-1-pyrenyl)oxy]ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]pyrrolidine-3-carboxylic acid Formula: C23H19NO13S3 MolecularWeight: 613.59086

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Descriptors Computed from Structure

Canonical SMILES:

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

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/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/h1-4,7-8,11H,5-6,9-10H2,(H,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)