1-[2-(3,6,8-trisulfopyren-1-yl)oxyethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3,6,8-trisulfopyren-1-yl)oxyethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[(3,6,8-trisulfo-1-pyrenyl)oxy]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]isonipecotic acid Formula: C24H21NO13S3 MolecularWeight: 627.61744

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Descriptors Computed from Structure

Canonical SMILES:

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

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/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/h1-4,9-10,12H,5-8,11H2,(H,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)