2-oxidanyl-5-[2-(4-oxidanyl-3-sulfo-phenyl)propan-2-yl]benzenesulfonic acid

Systemtic Name: 2-oxidanyl-5-[2-(4-oxidanyl-3-sulfo-phenyl)propan-2-yl]benzenesulfonic acid Openeye Name: 2-hydroxy-5-[1-(4-hydroxy-3-sulfo-phenyl)-1-methyl-ethyl]benzenesulfonic acid CAS Name: 2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid IUPAC Name: 2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid Traditional Name: 2-hydroxy-5-[1-(4-hydroxy-3-sulfo-phenyl)-1-methyl-ethyl]besylic acid Formula: C15H16O8S2 MolecularWeight: 388.41274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O8S2/c1-15(2,9-3-5-11(16)13(7-9)24(18,19)20)10-4-6-12(17)14(8-10)25(21,22)23/h3-8,16-17H,1-2H3,(H,18,19,20)(H,21,22,23)