1-[4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-3,5-bis(oxidanyl)phenoxy]-5,6-bis(oxidanyl)hexane-3-sulfonic acid

Systemtic Name: 1-[4-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-3,5-bis(oxidanyl)phenoxy]-5,6-bis(oxidanyl)hexane-3-sulfonic acid Openeye Name: 1-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]-5,6-dihydroxy-hexane-3-sulfonic acid CAS Name: 1-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]phenoxy]-5,6-dihydroxy-3-hexanesulfonic acid IUPAC Name: 1-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]-5,6-dihydroxyhexane-3-sulfonic acid Traditional Name: 1-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]phenoxy]-5,6-dihydroxy-hexane-3-sulfonic acid Formula: C22H28O11S MolecularWeight: 500.51612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCCC(CC(CO)O)S(=O)(=O)O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCCC(CC(CO)O)S(=O)(=O)O)O)O

InChI

InChI=1S/C22H28O11S/c1-32-21-5-3-13(8-18(21)26)2-4-17(25)22-19(27)10-15(11-20(22)28)33-7-6-16(34(29,30)31)9-14(24)12-23/h3,5,8,10-11,14,16,23-24,26-28H,2,4,6-7,9,12H2,1H3,(H,29,30,31)