sodium 5-(3-butylsulfanyl-2-oxidanyl-propoxy)-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: sodium 5-(3-butylsulfanyl-2-oxidanyl-propoxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-(3-butylsulfanyl-2-hydroxy-propoxy)-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[3-(butylthio)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-(3-butylsulfanyl-2-hydroxypropoxy)-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[3-(butylthio)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C17H19NaO6S MolecularWeight: 374.38393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCSCC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C17H20O6S.Na/c1-2-3-7-24-10-11(18)9-22-13-5-4-6-14-16(13)12(19)8-15(23-14)17(20)21;/h4-6,8,11,18H,2-3,7,9-10H2,1H3,(H,20,21);/q;+1/p-1