2-[3,5-bis(oxidanyl)phenyl]-3-[3-[3-[2-[3,5-bis(oxidanyl)phenyl]-3-oxidanyl-3-oxidanylidene-propoxy]phenyl]sulfanylphenoxy]propanoic acid

Systemtic Name: 2-[3,5-bis(oxidanyl)phenyl]-3-[3-[3-[2-[3,5-bis(oxidanyl)phenyl]-3-oxidanyl-3-oxidanylidene-propoxy]phenyl]sulfanylphenoxy]propanoic acid Openeye Name: 2-(3,5-dihydroxyphenyl)-3-[3-[3-[2-(3,5-dihydroxyphenyl)-3-hydroxy-3-oxo-propoxy]phenyl]sulfanylphenoxy]propanoic acid CAS Name: 2-(3,5-dihydroxyphenyl)-3-[3-[[3-[2-(3,5-dihydroxyphenyl)-3-hydroxy-3-oxopropoxy]phenyl]thio]phenoxy]propanoic acid IUPAC Name: 2-(3,5-dihydroxyphenyl)-3-[3-[3-[2-(3,5-dihydroxyphenyl)-3-hydroxy-3-oxopropoxy]phenyl]sulfanylphenoxy]propanoic acid Traditional Name: 2-(3,5-dihydroxyphenyl)-3-[3-[[3-[2-(3,5-dihydroxyphenyl)-3-hydroxy-3-keto-propoxy]phenyl]thio]phenoxy]propionic acid Formula: C30H26O10S MolecularWeight: 578.58644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=CC=CC(=C2)OCC(C3=CC(=CC(=C3)O)O)C(=O)O)OCC(C4=CC(=CC(=C4)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SC2=CC=CC(=C2)OCC(C3=CC(=CC(=C3)O)O)C(=O)O)OCC(C4=CC(=CC(=C4)O)O)C(=O)O

InChI

InChI=1S/C30H26O10S/c31-19-7-17(8-20(32)11-19)27(29(35)36)15-39-23-3-1-5-25(13-23)41-26-6-2-4-24(14-26)40-16-28(30(37)38)18-9-21(33)12-22(34)10-18/h1-14,27-28,31-34H,15-16H2,(H,35,36)(H,37,38)