5-oxidanyl-2-[2-(4-oxidanyl-2,6-disulfo-phenyl)propan-2-yl]benzene-1,3-disulfonic acid

Systemtic Name: 5-oxidanyl-2-[2-(4-oxidanyl-2,6-disulfo-phenyl)propan-2-yl]benzene-1,3-disulfonic acid Openeye Name: 5-hydroxy-2-[1-(4-hydroxy-2,6-disulfo-phenyl)-1-methyl-ethyl]benzene-1,3-disulfonic acid CAS Name: 5-hydroxy-2-[2-(4-hydroxy-2,6-disulfophenyl)propan-2-yl]benzene-1,3-disulfonic acid IUPAC Name: 5-hydroxy-2-[2-(4-hydroxy-2,6-disulfophenyl)propan-2-yl]benzene-1,3-disulfonic acid Traditional Name: 5-hydroxy-2-[1-(4-hydroxy-2,6-disulfo-phenyl)-1-methyl-ethyl]benzene-1,3-disulfonic acid Formula: C15H16O14S4 MolecularWeight: 548.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=C(C=C1S(=O)(=O)O)O)S(=O)(=O)O)C2=C(C=C(C=C2S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(C1=C(C=C(C=C1S(=O)(=O)O)O)S(=O)(=O)O)C2=C(C=C(C=C2S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C15H16O14S4/c1-15(2,13-9(30(18,19)20)3-7(16)4-10(13)31(21,22)23)14-11(32(24,25)26)5-8(17)6-12(14)33(27,28)29/h3-6,16-17H,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)