[6-methoxy-3-[3-methoxy-2-oxidanyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]-3,4-dihydro-2H-chromen-4-yl] sulfate

Systemtic Name: [6-methoxy-3-[3-methoxy-2-oxidanyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]-3,4-dihydro-2H-chromen-4-yl] sulfate Openeye Name: [3-[2-hydroxy-5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-3-methoxy-phenyl]-6-methoxy-chroman-4-yl] sulfate CAS Name: [3-[2-hydroxy-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-methoxyphenyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl] sulfate IUPAC Name: [3-[2-hydroxy-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-methoxyphenyl]-6-methoxy-3,4-dihydro-2H-chromen-4-yl] sulfate Traditional Name: [3-[2-hydroxy-5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-3-methoxy-phenyl]-6-methoxy-chroman-4-yl] sulfate Formula: C20H19O10S- MolecularWeight: 451.42386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C2OS(=O)(=O)[O-])C3=C(C(=CC(=C3)C=CC(=O)O)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(C2OS(=O)(=O)[O-])C3=C(C(=CC(=C3)/C=C/C(=O)O)OC)O

InChI

InChI=1S/C20H20O10S/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26)/p-1/b6-3+