hydron; 4-[(E)-2-[3-methoxy-2,5-bis(oxidanyl)phenyl]ethenyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one; sulfate

Systemtic Name: hydron; 4-[(E)-2-[3-methoxy-2,5-bis(oxidanyl)phenyl]ethenyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one; sulfate Openeye Name: 4-[(E)-2-(2,5-dihydroxy-3-methoxy-phenyl)vinyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one; hydron; sulfate CAS Name: 4-[(E)-2-(2,5-dihydroxy-3-methoxyphenyl)ethenyl]-1,3,6-trimethyl-2-pyrimidin-3-iumone; hydron; sulfate IUPAC Name: 4-[(E)-2-(2,5-dihydroxy-3-methoxyphenyl)ethenyl]-1,3,6-trimethylpyrimidin-3-ium-2-one; hydron; sulfate Traditional Name: 4-[(E)-2-(2,5-dihydroxy-3-methoxy-phenyl)vinyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one; hydron; sulfate Formula: C16H20N2O8S MolecularWeight: 400.4036

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=CC(=[N+](C(=O)N1C)C)C=CC2=CC(=CC(=C2O)OC)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CC1=CC(=[N+](C(=O)N1C)C)/C=C/C2=CC(=CC(=C2O)OC)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H18N2O4.H2O4S/c1-10-7-12(18(3)16(21)17(10)2)6-5-11-8-13(19)9-14(22-4)15(11)20;1-5(2,3)4/h5-9,19H,1-4H3;(H2,1,2,3,4)