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

Systemtic Name: 4-[2-(3,6,8-trisulfopyren-1-yl)oxyethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[1-oxo-2-[(3,6,8-trisulfo-1-pyrenyl)oxy]ethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(3,6,8-trisulfopyren-1-yl)oxyacetyl]amino]cyclohexanecarboxylic acid Formula: C25H23NO13S3 MolecularWeight: 641.64402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=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(CCC1C(=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/C25H23NO13S3/c27-22(26-13-3-1-12(2-4-13)25(28)29)11-39-18-9-19(40(30,31)32)15-7-8-17-21(42(36,37)38)10-20(41(33,34)35)16-6-5-14(18)23(15)24(16)17/h5-10,12-13H,1-4,11H2,(H,26,27)(H,28,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)