sodium [(Z)-1-[3,5-bis(bromanyl)-4-methoxy-phenyl]-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl] sulfate

Systemtic Name: sodium [(Z)-1-[3,5-bis(bromanyl)-4-methoxy-phenyl]-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl] sulfate Openeye Name: sodium [(Z)-1-carboxy-2-(3,5-dibromo-4-methoxy-phenyl)vinyl] sulfate CAS Name: sodium [(Z)-1-(3,5-dibromo-4-methoxyphenyl)-3-hydroxy-3-oxoprop-1-en-2-yl] sulfate IUPAC Name: sodium [(Z)-1-(3,5-dibromo-4-methoxyphenyl)-3-hydroxy-3-oxoprop-1-en-2-yl] sulfate Traditional Name: sodium [(Z)-1-carboxy-2-(3,5-dibromo-4-methoxy-phenyl)vinyl] sulfate Formula: C10H7Br2NaO7S MolecularWeight: 454.02115

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C=C(C(=O)O)OS(=O)(=O)[O-])Br.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1Br)/C=C(/C(=O)O)\OS(=O)(=O)[O-])Br.[Na+]

InChI

InChI=1S/C10H8Br2O7S.Na/c1-18-9-6(11)2-5(3-7(9)12)4-8(10(13)14)19-20(15,16)17;/h2-4H,1H3,(H,13,14)(H,15,16,17);/q;+1/p-1/b8-4-;