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

Systemtic Name: 5-oxidanyl-2-[2-(4-oxidanyl-2-sulfo-phenyl)propan-2-yl]benzene-1,3-disulfonic acid Openeye Name: 5-hydroxy-2-[1-(4-hydroxy-2-sulfo-phenyl)-1-methyl-ethyl]benzene-1,3-disulfonic acid CAS Name: 5-hydroxy-2-[2-(4-hydroxy-2-sulfophenyl)propan-2-yl]benzene-1,3-disulfonic acid IUPAC Name: 5-hydroxy-2-[2-(4-hydroxy-2-sulfophenyl)propan-2-yl]benzene-1,3-disulfonic acid Traditional Name: 5-hydroxy-2-[1-(4-hydroxy-2-sulfo-phenyl)-1-methyl-ethyl]benzene-1,3-disulfonic acid Formula: C15H16O11S3 MolecularWeight: 468.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H16O11S3/c1-15(2,10-4-3-8(16)5-11(10)27(18,19)20)14-12(28(21,22)23)6-9(17)7-13(14)29(24,25)26/h3-7,16-17H,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)