1-oxidanyl-2-oxidanylidene-2-[4-[2-[4-(2-oxidanyl-2-sulfo-ethanoyl)phenyl]ethyl]phenyl]ethanesulfonic acid

Systemtic Name: 1-oxidanyl-2-oxidanylidene-2-[4-[2-[4-(2-oxidanyl-2-sulfo-ethanoyl)phenyl]ethyl]phenyl]ethanesulfonic acid Openeye Name: 1-hydroxy-2-[4-[2-[4-(2-hydroxy-2-sulfo-acetyl)phenyl]ethyl]phenyl]-2-oxo-ethanesulfonic acid CAS Name: 1-hydroxy-2-[4-[2-[4-(2-hydroxy-1-oxo-2-sulfoethyl)phenyl]ethyl]phenyl]-2-oxoethanesulfonic acid IUPAC Name: 1-hydroxy-2-[4-[2-[4-(2-hydroxy-2-sulfoacetyl)phenyl]ethyl]phenyl]-2-oxoethanesulfonic acid Traditional Name: 1-hydroxy-2-[4-[2-[4-(2-hydroxy-2-sulfo-acetyl)phenyl]ethyl]phenyl]-2-keto-ethanesulfonic acid Formula: C18H18O10S2 MolecularWeight: 458.45952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O)C(=O)C(O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O)C(=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C18H18O10S2/c19-15(17(21)29(23,24)25)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20)18(22)30(26,27)28/h3-10,17-18,21-22H,1-2H2,(H,23,24,25)(H,26,27,28)