sodium 4-[4-[(E)-3-(4-methoxy-5-oxidanyl-cyclohexa-2,4-dien-1-yl)-3-oxidanylidene-prop-1-enyl]-3,5-bis(oxidanyl)phenoxy]-3-oxidanylidene-butanoate

Systemtic Name: sodium 4-[4-[(E)-3-(4-methoxy-5-oxidanyl-cyclohexa-2,4-dien-1-yl)-3-oxidanylidene-prop-1-enyl]-3,5-bis(oxidanyl)phenoxy]-3-oxidanylidene-butanoate Openeye Name: sodium 4-[3,5-dihydroxy-4-[(E)-3-(5-hydroxy-4-methoxy-cyclohexa-2,4-dien-1-yl)-3-oxo-prop-1-enyl]phenoxy]-3-oxo-butanoate CAS Name: sodium 4-[3,5-dihydroxy-4-[(E)-3-(5-hydroxy-4-methoxy-1-cyclohexa-2,4-dienyl)-3-oxoprop-1-enyl]phenoxy]-3-oxobutanoate IUPAC Name: sodium 4-[3,5-dihydroxy-4-[(E)-3-(5-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)-3-oxoprop-1-enyl]phenoxy]-3-oxobutanoate Traditional Name: sodium 4-[3,5-dihydroxy-4-[(E)-3-(5-hydroxy-4-methoxy-cyclohexa-2,4-dien-1-yl)-3-keto-prop-1-enyl]phenoxy]-3-keto-butyrate Formula: C20H19NaO9 MolecularWeight: 426.34923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(C=C1)C(=O)C=CC2=C(C=C(C=C2O)OCC(=O)CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

COC1=C(CC(C=C1)C(=O)/C=C/C2=C(C=C(C=C2O)OCC(=O)CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C20H20O9.Na/c1-28-19-5-2-11(6-18(19)25)15(22)4-3-14-16(23)8-13(9-17(14)24)29-10-12(21)7-20(26)27;/h2-5,8-9,11,23-25H,6-7,10H2,1H3,(H,26,27);/q;+1/p-1/b4-3+;