4-oxidanyl-3-[1-oxidanyl-1-(2-oxidanyl-5-sulfo-phenyl)butyl]benzenesulfonic acid

Systemtic Name: 4-oxidanyl-3-[1-oxidanyl-1-(2-oxidanyl-5-sulfo-phenyl)butyl]benzenesulfonic acid Openeye Name: 4-hydroxy-3-[1-hydroxy-1-(2-hydroxy-5-sulfo-phenyl)butyl]benzenesulfonic acid CAS Name: 4-hydroxy-3-[1-hydroxy-1-(2-hydroxy-5-sulfophenyl)butyl]benzenesulfonic acid IUPAC Name: 4-hydroxy-3-[1-hydroxy-1-(2-hydroxy-5-sulfophenyl)butyl]benzenesulfonic acid Traditional Name: 4-hydroxy-3-[1-hydroxy-1-(2-hydroxy-5-sulfo-phenyl)butyl]besylic acid Formula: C16H18O9S2 MolecularWeight: 418.43872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O9S2/c1-2-7-16(19,12-8-10(26(20,21)22)3-5-14(12)17)13-9-11(27(23,24)25)4-6-15(13)18/h3-6,8-9,17-19H,2,7H2,1H3,(H,20,21,22)(H,23,24,25)