3-[2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxypropane-1-sulfonic acid

Systemtic Name: 3-[2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxypropane-1-sulfonic acid Openeye Name: 3-[5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-oxo-chromen-7-yl]oxypropane-1-sulfonic acid CAS Name: 3-[[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxypropane-1-sulfonic acid Traditional Name: 3-[5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-keto-chromen-7-yl]oxypropane-1-sulfonic acid Formula: C19H18O9S MolecularWeight: 422.40582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCCCS(=O)(=O)O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCCCS(=O)(=O)O)O)O

InChI

InChI=1S/C19H18O9S/c1-26-16-4-3-11(7-13(16)20)17-10-15(22)19-14(21)8-12(9-18(19)28-17)27-5-2-6-29(23,24)25/h3-4,7-10,20-21H,2,5-6H2,1H3,(H,23,24,25)