3-[2-(3,6,8-trisulfopyren-1-yl)oxyethanoylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 3-[2-(3,6,8-trisulfopyren-1-yl)oxyethanoylamino]cyclopentane-1-carboxylic acid Openeye Name: 3-[[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]amino]cyclopentanecarboxylic acid CAS Name: 3-[[1-oxo-2-[(3,6,8-trisulfo-1-pyrenyl)oxy]ethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 3-[[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 3-[[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]amino]cyclopentanecarboxylic acid Formula: C24H21NO13S3 MolecularWeight: 627.61744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(=O)O)NC(=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

C1CC(CC1C(=O)O)NC(=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(25-12-2-1-11(7-12)24(27)28)10-38-17-8-18(39(29,30)31)14-5-6-16-20(41(35,36)37)9-19(40(32,33)34)15-4-3-13(17)22(14)23(15)16/h3-6,8-9,11-12H,1-2,7,10H2,(H,25,26)(H,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)