2-[3-(carboxymethyloxy)-6,8-disulfo-pyren-1-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[3-(carboxymethyloxy)-6,8-disulfo-pyren-1-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[3-(carboxymethyloxy)-6,8-disulfo-pyren-1-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[3-(carboxymethyloxy)-6,8-disulfo-1-pyrenyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[3-(carboxymethyloxy)-6,8-disulfopyren-1-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[3-(carboxymethyloxy)-6,8-disulfo-pyren-1-yl]oxy-2-methyl-propionic acid Formula: C22H18O12S2 MolecularWeight: 538.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)OCC(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(C(=O)O)OC1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)OCC(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H18O12S2/c1-22(2,21(25)26)34-15-7-14(33-9-18(23)24)10-3-5-12-16(35(27,28)29)8-17(36(30,31)32)13-6-4-11(15)19(10)20(12)13/h3-8H,9H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29)(H,30,31,32)