sodium [4-(7-oxidanyl-3,4-dihydro-2H-chromen-3-yl)phenyl] sulfate

Systemtic Name: sodium [4-(7-oxidanyl-3,4-dihydro-2H-chromen-3-yl)phenyl] sulfate Openeye Name: sodium [4-(7-hydroxychroman-3-yl)phenyl] sulfate CAS Name: sodium [4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl] sulfate IUPAC Name: sodium [4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] sulfate Traditional Name: sodium [4-(7-hydroxychroman-3-yl)phenyl] sulfate Formula: C15H13NaO6S MolecularWeight: 344.31489

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H14O6S.Na/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19;/h1-6,8,12,16H,7,9H2,(H,17,18,19);/q;+1/p-1