[3-methoxy-7-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-oxidanylidene-1H-quinolin-8-yl] hydrogen sulfate

Systemtic Name: [3-methoxy-7-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-oxidanylidene-1H-quinolin-8-yl] hydrogen sulfate Openeye Name: [7-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-methoxy-2-oxo-1H-quinolin-8-yl] hydrogen sulfate CAS Name: sulfuric acid [7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxy-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxy-2-oxo-1H-quinolin-8-yl] hydrogen sulfate Traditional Name: sulfuric acid (2-keto-3-methoxy-7-vanillyl-1H-quinolin-8-yl) ester Formula: C18H17NO8S MolecularWeight: 407.39448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C(C=C2)CC3=CC(=C(C=C3)O)OC)OS(=O)(=O)O)NC1=O

Isomeric SMILES

COC1=CC2=C(C(=C(C=C2)CC3=CC(=C(C=C3)O)OC)OS(=O)(=O)O)NC1=O

InChI

InChI=1S/C18H17NO8S/c1-25-14-8-10(3-6-13(14)20)7-12-5-4-11-9-15(26-2)18(21)19-16(11)17(12)27-28(22,23)24/h3-6,8-9,20H,7H2,1-2H3,(H,19,21)(H,22,23,24)