[2-(4-hydroxyphenyl)-6-methoxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl] hydrogen sulfate

Systemtic Name: [2-(4-hydroxyphenyl)-6-methoxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl] hydrogen sulfate Openeye Name: [5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [5-hydroxy-2-(4-hydroxyphenyl)-4-keto-6-methoxy-chromen-7-yl] ester Formula: C16H12O9S MolecularWeight: 380.32608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OS(=O)(=O)O

InChI

InChI=1S/C16H12O9S/c1-23-16-13(25-26(20,21)22)7-12-14(15(16)19)10(18)6-11(24-12)8-2-4-9(17)5-3-8/h2-7,17,19H,1H3,(H,20,21,22)